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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 3pluTe5ILKe
Name bergamotene (without stereochemistry)
Alternate Name(s) 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
CAS Registry Number 15438-93-4
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
InChIKey DGZBGCMPRYFWFF-UHFFFAOYSA-N
Molecular Weight 204.357 g/mol
SMILES C12C(CCC=C(C)C)(C)C(C2)CCC1=C
SPLASH splash10-00kf-9300000000-8bd3cdea6931008e4f26
Source of Spectrum J-53-2191-6
Wiley ID 1203042