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Isocaryophyllene

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5U4gWztz1A
Name CARYOPHYLLENE
CAS Registry Number 87-44-5
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author Y.KASHMAN,A.GROWEISS
Literature Reference Citation J.ORG.CHEM.,45,3814(1980)
Literature Reference DOI 10.1021/jo01307a017
Molecular Weight 204.356 g/mol
Solvent CDCl3
Source File Reference UNIW21306