3-Cyclohexene-1-carboxaldehyde, 1,3,4-trimethyl-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-8-4-5-10(3,7-11)6-9(8)2/h7H,4-6H2,1-3H3
- IUPAC Standard InChIKey: HPPUQZZCHCEJEW-UHFFFAOYSA-N
- CAS Registry Number: 40702-26-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 1,3,4-Trimethyl-3-cyclohexenyl-1-carboxaldehyde; 1,3,4-Trimethyl-3-cyclohexen-1-carboxaldehyde; 1,3,4-Trimethyl-3-cyclohexene-1-carboxaldehyde
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IR Spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| State | gas |
| Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 1990. |
| NIST MS number | 118123 |
Gas Chromatography
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1171. | Tepe, Sokmen, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1136. | Baris, Güllüce, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 50C => 3C/min => 150C(10min) => 10C/min => 250C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 1525. | Velasco-Negueruela, Pérez-Alonso, et al., 2003 | 50. m/0.2 mm/0.2 μm, He, 5. K/min; Tstart: 70. C; Tend: 190. C |
References
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tepe, Sokmen, et al., 2005
Tepe, B.; Sokmen, M.; Sokmen, A.; Daferera, D.; Polissiou, M.,
Antimicrobial and antioxidative activity of the essential oil and various extracts of Cyclotrichium origanifolium (Labill.) Manden. Scheng.,
J. Food Eng., 2005, 69, 3, 335-342, https://doi.org/10.1016/j.jfoodeng.2004.08.024
. [all data]
Baris, Güllüce, et al., 2006
Baris, Ö.; Güllüce, M.; Sahin, F.; Özer, H.; Kilic, H.; Özkan, H.; Sökmen, M.; Özbek, T.,
Biological Activities of the Essential Oil and Methanol Extract of Achillea biebersteinii Afan. (Asteraceae),
Turk. J. Biol., 2006, 30, 65-73. [all data]
Velasco-Negueruela, Pérez-Alonso, et al., 2003
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J.,
Analysis by gas chromatography-mass spectrometry of the essential oils from the aerial parts of Rutheopsis herbanica (Bolle) Hans. Kunk., gathered in Fuerteventura (Canary Islands),
J. Chromatogr. A, 2003, 984, 1, 159-162, https://doi.org/10.1016/S0021-9673(02)01742-9
. [all data]
Notes
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
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