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(-)-4(E),8(E),12(Z)-casbene
SpectraBase Compound ID IzPV2QzOZLc
InChI InChI=1S/C20H32/c1-15-8-6-7-9-16(2)12-13-18-19(20(18,4)5)14-17(3)11-10-15/h8-9,14,18-19H,6-7,10-13H2,1-5H3/b15-8+,16-9+,17-14-
InChIKey KJONTMOEOJNELJ-OVRKHTCOSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6W0SqIP0W1N
Name (-)-4(E),8(E),12(Z)-casbene
CAS Registry Number 110658-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32
InChI InChI=1S/C20H32/c1-15-8-6-7-9-16(2)12-13-18-19(20(18,4)5)14-17(3)11-10-15/h8-9,14,18-19H,6-7,10-13H2,1-5H3/b15-8+,16-9+,17-14-
InChIKey KJONTMOEOJNELJ-OVRKHTCOSA-N
Molecular Weight 272.476 g/mol
SMILES C12C(C)(C)C2CC\C(=C\CC\C=C\(CC\C(=C/1)C)C)C
SPLASH splash10-00dl-4920000000-7196660ee05b7efb9042
Source of Spectrum J-52-4893-45
Synonyms 3,6,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene
Wiley ID 1276861