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2-Phenyl-9a-phenylsulfanyl-1,2,3,4b,5,6,7,8,9,9a-decahydro-10-oxabenzo[a]azulen-4-one
SpectraBase Compound ID 7VNh1KFPTd8
InChI InChI=1S/C25H26O2S/c26-22-16-19(18-10-4-1-5-11-18)17-23-24(22)21-14-8-3-9-15-25(21,27-23)28-20-12-6-2-7-13-20/h1-2,4-7,10-13,19,21H,3,8-9,14-17H2
InChIKey GXLRKNNECOZYEJ-UHFFFAOYSA-N
Mol Weight 390.54 g/mol
Molecular Formula C25H26O2S
Exact Mass 390.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20GE0471TCj
Name 2-Phenyl-9a-phenylsulfanyl-1,2,3,4b,5,6,7,8,9,9a-decahydro-10-oxabenzo[a]azulen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O2S
InChI InChI=1S/C25H26O2S/c26-22-16-19(18-10-4-1-5-11-18)17-23-24(22)21-14-8-3-9-15-25(21,27-23)28-20-12-6-2-7-13-20/h1-2,4-7,10-13,19,21H,3,8-9,14-17H2
InChIKey GXLRKNNECOZYEJ-UHFFFAOYSA-N
Molecular Weight 390.541 g/mol
SMILES C12=C(OC3(CCCCCC23)Sc2ccccc2)CC(CC1=O)c1ccccc1
SPLASH splash10-0059-3930000000-716734cf9574bbdcbc25
Source of Spectrum C5-2003-1983-24
Synonyms 3-Phenyl-5a-(phenylsulfanyl)-2,3,4,5a,6,7,8,9,10,10a-decahydro-1H-cyclohepta[b][1]benzofuran-1-one
Wiley ID 1615811