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bergamotene (without stereochemistry)
SpectraBase Compound ID 5MylJriecdk
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
InChIKey DGZBGCMPRYFWFF-UHFFFAOYSA-N
Mol Weight 204.36 g/mol
Molecular Formula C15H24
Exact Mass 204.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LT7s4X8aPGy
Name .beta.-Bergamotene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.187800773 u
Formula C15H24
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
InChIKey DGZBGCMPRYFWFF-UHFFFAOYSA-N
Instrument Name Finnigan 9610-4021
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240200602
Molecular Weight 204.357 g/mol
Quality 137
SMILES CC(C)=CCCC1(C)C2CCC(=C)C1C2
SPLASH splash10-00kf-5910000000-ca6cc777da7c6977bd0c
Source of Spectrum HRC-20-307-19 (DOI: 10.1002/jhrc.1240200602)
Wiley ID 1910957