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2(3H)-Benzofuranone, hexahydro-3a-(phenylthio)-
SpectraBase Compound ID 9qznbxFPFjU
InChI InChI=1S/C14H16O2S/c15-13-10-14(9-5-4-8-12(14)16-13)17-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKey LNHHGXLQCOXKRB-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 88lcxxr1ypB
Name 2(3H)-Benzofuranone, hexahydro-3a-(phenylthio)-
Alternate Name(s) 3a-(phenylsulfanyl)hexahydro-1-benzofuran-2(3H)-one
CAS Registry Number 71404-70-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2S
InChI InChI=1S/C14H16O2S/c15-13-10-14(9-5-4-8-12(14)16-13)17-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKey LNHHGXLQCOXKRB-UHFFFAOYSA-N
Molecular Weight 248.340 g/mol
SMILES C12(CC(=O)OC2CCCC1)Sc1ccccc1
SPLASH splash10-000i-0910000000-1b9ccd1608109e906ea7
Source of Spectrum C-101-3891-0
Wiley ID 1251005