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9a-Phenylsulfanyl-1,2,3,4b,5,6,7,8,9a-decahydro-10-oxabenzo[a]azulen-4-one
SpectraBase Compound ID 3OEJIbmG8if
InChI InChI=1S/C19H22O2S/c20-16-11-7-12-17-18(16)15-10-5-2-6-13-19(15,21-17)22-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2/t15-,19+/m0/s1
InChIKey BPLQKCXAAMILOQ-HNAYVOBHSA-N
Mol Weight 314.44 g/mol
Molecular Formula C19H22O2S
Exact Mass 314.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KroJ2OtvBN
Name 9a-Phenylsulfanyl-1,2,3,4b,5,6,7,8,9a-decahydro-10-oxabenzo[a]azulen-4-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O2S
InChI InChI=1S/C19H22O2S/c20-16-11-7-12-17-18(16)15-10-5-2-6-13-19(15,21-17)22-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2/t15-,19+/m0/s1
InChIKey BPLQKCXAAMILOQ-HNAYVOBHSA-N
Molecular Weight 314.443 g/mol
SMILES [C@@]12(OC=3CCCC(C3[C@@]2(CCCCC1)[H])=O)Sc1ccccc1
SPLASH splash10-0fb9-2940000000-39e88f23da5a63b0e3df
Source of Spectrum QC-23-1479-13
Wiley ID 1583973