2,3,3-Trimethyl-2-(3-methyl-buta-1,3-dienyl)-cyclohexanone
- Formula: C14H22O
- Molecular weight: 206.3239
- IUPAC Standard InChI: InChI=1S/C14H22O/c1-11(2)8-10-14(5)12(15)7-6-9-13(14,3)4/h8,10H,1,6-7,9H2,2-5H3/b10-8+
- IUPAC Standard InChIKey: BUIXYBRVJFSDRY-CSKARUKUSA-N
- 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: 2,3,3-Trimethyl-2-(3-methyl-1,3-butadienyl)-cyclohexanone
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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 | Chemical Concepts |
| NIST MS number | 193606 |
Gas Chromatography
Go To: Top, 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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-5 | 1517. | Setkova, Risticevic, et al., 2007 | 10. m/0.18 mm/0.2 μm, He, 40. C @ 0.5 min, 50. K/min, 275. C @ 0.5 min |
| Capillary | DB-1 | 1542. | Sonboli, Salehi, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 5. K/min, 250. C @ 10. min; Tstart: 60. C |
References
Go To: Top, 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.
Setkova, Risticevic, et al., 2007
Setkova, L.; Risticevic, S.; Pawliszyn, J.,
Rapid headspace solid-phase microextraction-gas chromatographic?time-of-flight mass spectrometric method for qualitative profiling of ice wine volatile fraction II: Classification of Canadian and Czech ice wines using statistical evaluation of the data,
J. Chromatogr. A, 2007, 1147, 2, 224-240, https://doi.org/10.1016/j.chroma.2007.02.052
. [all data]
Sonboli, Salehi, et al., 2005
Sonboli, A.; Salehi, P.; Allahyari, L.,
Essential oil composition of Nepeta involucrata from Iran,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 6, 683-685, https://doi.org/10.1007/s10600-006-0011-z
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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