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(1E,6E,9R,11S)-2,6-Dimethyl-9,11-di(prop-1-en-2-yl)cyclododeca-1,6-diene
SpectraBase Compound ID AVaG2vRWU35
InChI InChI=1S/C20H32/c1-15(2)19-12-10-17(5)8-7-9-18(6)11-13-20(14-19)16(3)4/h10-11,19-20H,1,3,7-9,12-14H2,2,4-6H3/b17-10+,18-11+/t19-,20+
InChIKey FVAWWQKNZAPHAY-QIPKPFJQSA-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 CIeHylrcdIM
Name (1E,6E,9R,11S)-2,6-Dimethyl-9,11-di(prop-1-en-2-yl)cyclododeca-1,6-diene
Alternate Name(s) Isocubitene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32
InChI InChI=1S/C20H32/c1-15(2)19-12-10-17(5)8-7-9-18(6)11-13-20(14-19)16(3)4/h10-11,19-20H,1,3,7-9,12-14H2,2,4-6H3/b17-10+,18-11+/t19-,20+
InChIKey FVAWWQKNZAPHAY-QIPKPFJQSA-N
Literature Reference DOI 10.1002/anie.201205143
Molecular Weight 272.476 g/mol
SMILES [C@@]1(C[C@](C(=C)C)(C\C=C\(CCC\C(=C\C1)C)C)[H])(C(=C)C)[H]
SPLASH splash10-0563-9710000000-034d9dcc23fd426fa956
Source of Spectrum ACI-51-SM29-17
Wiley ID 1780694