β-Bergamotene

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15?/m1/s1
IUPAC Standard InChIKey: DGZBGCMPRYFWFF-GRKKQISMSA-N
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
- β-Bergamotene
Stereoisomers:
Information on this page:
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Gas Chromatography

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	DB-5	1436.	Karimi, Farmani, et al., 2011	30. m/0.25 mm/0.25 μm, Helium, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	HP-5	1435.	Maridass, 2009	25. m/0.20 mm/0.33 μm, Helium, 3. K/min, 240. C @ 7. min; T_start: 60. C

References

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Karimi, Farmani, et al., 2011
Karimi, H.; Farmani, A.; Nourizadeh, H., A performance comparison of modern statistical technique for molecular descriptor selection and retention prediction of essential oil from leaves, Amer. J. Sci. Res., 2011, 38, 36-40. [all data]

Maridass, 2009
Maridass, M., Inter-generic relationships of Ocimum and Origanum based on GC-MS volatile oils data using software NTSPSpc version 2.0, Ethnobotanical Leaflets, 2009, 13, 83-88. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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