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KYKXKNMWODEXOJ-MAITWHTASA-N
SpectraBase Compound ID D4YsLqXeaoP
InChI InChI=1S/C20H32/c1-15(2)8-7-13-20(5)18-12-11-16(3)9-6-10-17(4)14-19(18)20/h8-9,14,18-19H,6-7,10-13H2,1-5H3/b16-9+,17-14+/t18-,19+,20+/m1/s1
InChIKey KYKXKNMWODEXOJ-MAITWHTASA-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 3VtPJBrSSyV
Name [11S-(1alpha,2E,6E, 10alpha)]-3,7,11-Trimethyl-11-(4-methyl-3-pentenyl)bicyclo-[8.1.0]undeca-2,6-diene
Alternate Name(s) Cneorubin-Y (1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-(4-methylpent-3-en-1-yl)bicyclo[8.1.0]undeca-2,6-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32
InChI InChI=1S/C20H32/c1-15(2)8-7-13-20(5)18-12-11-16(3)9-6-10-17(4)14-19(18)20/h8-9,14,18-19H,6-7,10-13H2,1-5H3/b16-9+,17-14+/t18-,19+,20+/m1/s1
InChIKey KYKXKNMWODEXOJ-MAITWHTASA-N
Literature Reference DOI 10.1002/cber.19801131217
Molecular Weight 272.476 g/mol
SMILES C1\C=C\(CC[C@@]2([C@](\C=C\(C1)C)([C@@]2(C)CCC=C(C)C)[H])[H])C
SPLASH splash10-0avi-7920000000-ff1b41b8101f0762c381
Source of Spectrum K-113-3863-35
Wiley ID 1794390