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Isocaryophyllene

View entire compound with spectra: 3 NMR, and 48 MS (GC)

Isocaryophyllene
SpectraBase Compound ID E1C88xlnDsp
InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-
InChIKey NPNUFJAVOOONJE-WDZFZDKYSA-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 9H7e76r5aJc
Name Isocaryophyllene
CAS Registry Number 87-44-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24
InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-
InChIKey NPNUFJAVOOONJE-WDZFZDKYSA-N
Molecular Weight 204.357 g/mol
SMILES CC1(C)C2C(C(=C)CC\C=C/(CC2)C)C1
SPLASH splash10-0159-9200000000-7a9812c070375ea19300
Source of Spectrum UT-1990-20-0
Synonyms Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- 4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (E)-(1R,9S)-(-)- (-)-caryophyllene (1R-(1R*,4Z,9S*))-4,11,11-trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene (4Z)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene (4Z)-4,11,11-trimethyl-8-methylidene-bicyclo[7.2.0]undec-4-ene (E)-Caryophyllene .beta.-Caryophyllene .beta.-cis-Caryophyllene .beta.-trans-Caryophyllene .gamma.-caryophyllene 2-Methylene-6,10,10-trimethylbicyclo(7.2.0)undec-5-ene 4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene, (1R-(1R*,4E,9S))- Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene- 8-Methylene-4,11,11-(trimethyl)bicyclo(7.2.0)undec-4-ene Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)- Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene- Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4Z,9S)- Bicyclo(7.2.0)undec-4-ene, 8-methylene-4,11,11-trimethyl-, (E)-(1R,9S)-(-)- Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R- (1R*,4E,9S*)]- Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (Z)- Bicyclo[7.2.0]undec-4-ene, 8-methylene-4,11,11-trimethyl-, (E)-(1R,9S)-(-)- Caryophyllene ,alpha + beta mixt. cis-4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undeca-4-ene cis-Caryophyllene Isocaryophillene L-Caryophyllene trans-.beta.-Caryophyllene trans-Caryophyllene (4Z)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene AI3-36121 EINECS 201-746-1 EINECS 204-267-6 FEMA NO. 2252 NSC 11906
Wiley ID 1202594