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1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [R-(E,Z,E,E)]-
SpectraBase Compound ID J567VYTHEC6
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-/t20-/m1/s1
InChIKey DMHADBQKVWXPPM-JNTUPPFWSA-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 4w5kGaMB9VL
Name 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [R-(E,Z,E,E)]-
CAS Registry Number 79355-93-4
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-/t20-/m1/s1
InChIKey DMHADBQKVWXPPM-JNTUPPFWSA-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)[H])C
SPLASH splash10-0abc-4920000000-abb25a8f858bce086bd2
Source of Spectrum B-34-1554-0
Synonyms (-)-Cembrene (14R)-14-isopropyl-3,7,11-trimethyl-1,3,6,10-cyclotetradecatetraene (R)-(-)-Cembrene (1Z,3Z,6Z,10Z,14R)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tetraene (1Z,3Z,6Z,10Z,14R)-3,7,11-trimethyl-14-propan-2-yl-cyclotetradeca-1,3,6,10-tetraene
Wiley ID 1276785