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2,6,10,12-Cyclotetradecatetraen-1-ol, 2,6,10-trimethyl-13-(1-methylethyl)-, [S-(all-E)]-
SpectraBase Compound ID H9sjOYD8MZ1
InChI InChI=1S/C20H32O/c1-15(2)19-13-12-17(4)9-6-8-16(3)10-7-11-18(5)20(21)14-19/h8,11-13,15,20-21H,6-7,9-10,14H2,1-5H3/b16-8+,17-12+,18-11+,19-13+/t20-/m1/s1
InChIKey WWOAMOYJEBXIJS-BHNOQKNJSA-N
Mol Weight 288.5 g/mol
Molecular Formula C20H32O
Exact Mass 288.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3leGk2XGCfZ
Name 2,6,10,12-Cyclotetradecatetraen-1-ol, 2,6,10-trimethyl-13-(1-methylethyl)-, [S-(all-E)]-
Alternate Name(s) (1R)-13-isopropyl-2,6,10-trimethyl-2,6,10,12-cyclotetradecatetraen-1-ol Cembra-1,3,7,11-tetraen-14-ol
CAS Registry Number 81575-69-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O
InChI InChI=1S/C20H32O/c1-15(2)19-13-12-17(4)9-6-8-16(3)10-7-11-18(5)20(21)14-19/h8,11-13,15,20-21H,6-7,9-10,14H2,1-5H3/b16-8+,17-12+,18-11+,19-13+/t20-/m1/s1
InChIKey WWOAMOYJEBXIJS-BHNOQKNJSA-N
Molecular Weight 288.475 g/mol
SMILES O[C@]1(\C(=C\CC\C(C)=C\CC\C(=C\C=C/(C1)C(C)C)C)C)[H]
SPLASH splash10-0670-0900000000-b96f26503139fcbf11ed
Source of Spectrum B-35-1880-0
Wiley ID 1292219