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(1E,3E,11E)-Cembra-1,3,11-trien-6-one
SpectraBase Compound ID 9dHy2JBPq0d
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/h8,12-13,15,18H,6-7,9-11,14H2,1-5H3/b16-8+,17-12+,19-13+
InChIKey MQCVCGSWHRXVGK-NCYWEYGOSA-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 A59H1uk4Rxo
Name (1E,3E,11E)-Cembra-1,3,11-trien-6-one
CAS Registry Number 130575-03-0
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/h8,12-13,15,18H,6-7,9-11,14H2,1-5H3/b16-8+,17-12+,19-13+
InChIKey MQCVCGSWHRXVGK-NCYWEYGOSA-N
Molecular Weight 288.475 g/mol
SMILES C1\C(=C\C=C/(CC(C(CCC\C(=C\C1)C)C)=O)C(C)C)C
SPLASH splash10-0f79-0950000000-25d9aebb15db5f8d4bc4
Source of Spectrum J-56-1133-5
Synonyms 3-isopropyl-6,10,14-trimethyl-3,5,9-cyclotetradecatrien-1-one
Wiley ID 1292293