Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3
- IUPAC Standard InChIKey: USMNOWBWPHYOEA-UHFFFAOYSA-N
- CAS Registry Number: 1125-12-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Stereoisomers:
- Other names: 3-Thujanone; Chrysanthone; Tanacetone; 1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one; (-)-Thujone; Thujan-3-one; NSC 407281; Thujone
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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 | A.A.Kutin, Moscow, Russia |
| NIST MS number | 266112 |
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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1124. | Adams, 2000 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-5 | 1114. | Cornu, Carnat, et al., 2001 | He, 40. C @ 5. min, 3. K/min, 220. C @ 15. min; Column length: 60. m; Column diameter: 0.32 mm |
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.
Adams, 2000
Adams, R.P.,
The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3
. [all data]
Cornu, Carnat, et al., 2001
Cornu, A.; Carnat, A.-P.; Martin, B.; Coulon, J.-B.; Lamaison, J.-L.; Berdagué, J.-L.,
Solid-phase microextraction of volatile components from natural grassland plants,
J. Agric. Food Chem., 2001, 49, 1, 203-209, https://doi.org/10.1021/jf0008341
. [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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