TRANS-(3-R*,8A-S*)-3,8A-DIHYDRO-3-PHENYL-8A-METHYLAZULEN-1-(2-H)-ONE;MAJOR_DIASTEREOMER - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	2CcOaYwTcrH
InChI	InChI=1S/C17H16O/c1-17-11-7-3-6-10-15(17)14(12-16(17)18)13-8-4-2-5-9-13/h2-11,14H,12H2,1H3/t14-,17+/m1/s1
InChIKey	HKQSXEIQLCGHSE-PBHICJAKSA-N Google Search
Mol Weight	236.31 g/mol
Molecular Formula	C17H16O
Exact Mass	236.120115 g/mol

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SpectraBase Spectrum ID	4gVGVBbpmg8
Name	trans-(3R,8aS)-3,8a-Dihydro-3-phenyl-8a-methylazulen-1(2H)-one
Alternate Name(s)	(3R,8aS)-8a-methyl-3-phenyl-3,8a-dihydro-1(2H)-azulenone
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H16O
InChI	InChI=1S/C17H16O/c1-17-11-7-3-6-10-15(17)14(12-16(17)18)13-8-4-2-5-9-13/h2-11,14H,12H2,1H3/t14-,17+/m1/s1
InChIKey	HKQSXEIQLCGHSE-PBHICJAKSA-N
Molecular Weight	236.314 g/mol
SMILES	C=12[C@@](C(=O)C[C@@]2(c2ccccc2)[H])(C=CC=CC1)C
SPLASH	splash10-00di-9500000000-1ea2046c3280e02bd11a
Source of Spectrum	KC-0-4087-2
Wiley ID	827028