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(1S,2E,7E,11E)-2,4(18),7,11-Cembratraene
SpectraBase Compound ID 2Rii2oitZPS
InChI InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8-,18-10-,19-11-
InChIKey DMHADBQKVWXPPM-HJGUKDBDSA-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 N96l5aKQK
Name (1S,2E,7E,11E)-2,4(18),7,11-Cembratraene
CAS Registry Number 1898-13-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32
InChI InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8-,18-10-,19-11-
InChIKey DMHADBQKVWXPPM-HJGUKDBDSA-N
Molecular Weight 272.476 g/mol
SMILES C1\C=C/(\C=C/C(CC\C(=C/CC\C(=C/1)C)C)C(C)C)C
SPLASH splash10-0apl-9510000000-dfe2feb805464d8da234
Source of Spectrum O-28-157-10
Synonyms (1Z,3Z,6Z,10Z)-14-isopropyl-3,7,11-trimethyl-cyclotetradeca-1,3,6,10-tetraene (1Z,3Z,6Z,10Z)-3,7,11-trimethyl-14-propan-2-yl-cyclotetradeca-1,3,6,10-tetraene 1,3,6,10-Cyclotetradecatetraene, 14-isopropyl-3,7,11-trimethyl-, (+)- 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S-(E,Z,E,E)]- 14-Isopropyl-3,7,11-trimethyl-1,3,6,10-cyclotetradecatetraene Cembrene Thunbergen Thunbergene
Wiley ID 1276879