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cis-3a,8a-Dimethyl-3-methylene-2-phenyl-3,3a,6,7,8,8a-hexahydroazulen-4(5H)-one
SpectraBase Compound ID 5lfSDdi4jl0
InChI InChI=1S/C19H22O/c1-14-16(15-9-5-4-6-10-15)13-18(2)12-8-7-11-17(20)19(14,18)3/h4-6,9-10,13H,1,7-8,11-12H2,2-3H3/t18-,19-/m1/s1
InChIKey BPLSUFWADFZIRK-RTBURBONSA-N
Mol Weight 266.38 g/mol
Molecular Formula C19H22O
Exact Mass 266.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dfpuGjU2q
Name cis-3a,8a-Dimethyl-3-methylene-2-phenyl-3,3a,6,7,8,8a-hexahydroazulen-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O
InChI InChI=1S/C19H22O/c1-14-16(15-9-5-4-6-10-15)13-18(2)12-8-7-11-17(20)19(14,18)3/h4-6,9-10,13H,1,7-8,11-12H2,2-3H3/t18-,19-/m1/s1
InChIKey BPLSUFWADFZIRK-RTBURBONSA-N
Literature Reference DOI 10.1021/acs.orglett.5b00348
Molecular Weight 266.384 g/mol
SMILES C=1(C(=C)[C@]2([C@@](C1)(CCCCC2=O)C)C)c1ccccc1
SPLASH splash10-014i-1960000000-1500ddeebfa9e673db7f
Source of Spectrum A1-17-1465/SM37-13i
Synonyms (3aR,8aR)-3a,8a-dimethyl-3-methylene-2-phenyl-3a,5,6,7,8,8a-hexahydroazulen-4(3H)-one
Wiley ID 1805044