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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 6m9c9875oQR
Name BICYCLO[7.2.0]UNDEC-4-ENE, 4,11,11-TRIMETHYL-8-METHYLENE-, [1R-(1R*,4Z,9S*)]-
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 204.187800773 u
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
Nominal Mass 204 u
Number of Peaks 96
SMILES C1(CC2C(=C)CC\C=C\(C)CCC12)(C)C
SPLASH splash10-0006-9400000000-8f8bb96bac1111c88fb6
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000581