4-(2,7,7-Trimethylbicyclo[3.2.0]hept-2-en-1-yl)but-3-en-2-one
- Formula: C14H20O
- Molecular weight: 204.3080
- IUPAC Standard InChI: InChI=1S/C14H20O/c1-10-5-6-12-9-13(3,4)14(10,12)8-7-11(2)15/h5,7-8,12H,6,9H2,1-4H3/b8-7-
- IUPAC Standard InChIKey: ZXVDYQWETIMVLL-FPLPWBNLSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 4-(2',7',7'-Trimethyl-bicyclo[3.2.0]hept-2'-en-1'-yl)but-3-en-2-one
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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 | 195437 |
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 | HP-5 MS | 1472. | Xu, Han, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
| Capillary | Ultra-2 | 1394. | Khalilov L.M., Khalilova A.Z., et al., 1999 | 32. C @ 5. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 250. 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.
Xu, Han, et al., 2009
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K.,
Comparative research of chemical constituents, antifungal and antitumor properties of ether extracts of Panax ginseng and its endophytic fungus,
Phytomedicine: Int. J. Phytotherapy Phytopharmacology, 2009, 16, 6-7, 609-616, https://doi.org/10.1016/j.phymed.2009.03.014
. [all data]
Khalilov L.M., Khalilova A.Z., et al., 1999
Khalilov L.M.; Khalilova A.Z.; Odinokov V.N.; Baltaev U.A.; Paramonov E.A.; Dzhemilev U.M.,
Identification and biological activity of the volatile organic substances emitted by plants and insects - II. Sesquiterpene composition of the native scent of leaves of the potato Solanum tuberosum,
Chem. Nat. Compd. (Engl. Transl.), 1999, 35, 4, 422-426, https://doi.org/10.1007/BF02282508
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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