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bergamotene (without stereochemistry)
SpectraBase Compound ID 9yf0g264aho
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
InChIKey DGZBGCMPRYFWFF-RBSFLKMASA-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 KFrJzzwU6cT
Name bergamotene (without stereochemistry)
CAS Registry Number 55123-21-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/t13-,14-,15-/m1/s1
InChIKey DGZBGCMPRYFWFF-RBSFLKMASA-N
Molecular Weight 204.357 g/mol
SMILES [C@@]12([C@@](CCC=C(C)C)(C)[C@@](C2)(CCC1=C)[H])[H]
SPLASH splash10-05mn-8900000000-a1e4e58f000b22a4b546
Source of Spectrum Va-0-0-0
Synonyms 6-Methyl-2-methylene-6-(4-methylpent-3-enyl)norpinane Bicyclo[3.1.1]heptane, 6-methyl-2-methylene-6-(4-methyl-3-pentenyl)-, [1R-(1.alpha.,5.alpha.,6.beta.)]- 6-Methyl-4-methylene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane Bergamotene 6-Methyl-4-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane trans-.beta.-Bergamotene
Wiley ID 739597