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2(3H)-Benzofuranone, hexahydro-7-(phenylthio)-
SpectraBase Compound ID KhiaP4jyrmF
InChI InChI=1S/C14H16O2S/c15-13-9-10-5-4-8-12(14(10)16-13)17-11-6-2-1-3-7-11/h1-3,6-7,10,12,14H,4-5,8-9H2
InChIKey IMFNGRJYEZOKTF-UHFFFAOYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C14H16O2S
Exact Mass 248.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XGnm1WIrE5
Name 2(3H)-Benzofuranone, hexahydro-7-(phenylthio)-
CAS Registry Number 71404-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2S
InChI InChI=1S/C14H16O2S/c15-13-9-10-5-4-8-12(14(10)16-13)17-11-6-2-1-3-7-11/h1-3,6-7,10,12,14H,4-5,8-9H2
InChIKey IMFNGRJYEZOKTF-UHFFFAOYSA-N
Molecular Weight 248.340 g/mol
SMILES C12OC(=O)CC2CCCC1Sc1ccccc1
SPLASH splash10-03dj-1940000000-85f09525cd4d0cebb5f7
Source of Spectrum C-101-3891-0
Synonyms 7-(Phenylsulfanyl)hexahydro-1-benzofuran-2(3H)-one
Wiley ID 1251004