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(8S)-(1E,3E,11E)-1,3,11-Cembratrien-6-one
SpectraBase Compound ID 6WBoat8CPmL
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-IGSSHCQJSA-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 FSs4nGtqRpk
Name (8S)-(1E,3E,11E)-1,3,11-Cembratrien-6-one
Alternate Name(s) 3-isopropyl-6,10,14-trimethyl-3,5,9-cyclotetradecatrien-1-one
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-IGSSHCQJSA-N
Molecular Weight 288.475 g/mol
SMILES C1(=C\C=C\(CC\C=C\(CCCC(C(C1)=O)C)C)C)C(C)C
SPLASH splash10-00du-4900000000-919ceba1807f7dc6385d
Source of Spectrum QC-7-2860-1
Wiley ID 869419