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3-(hydroxymethyl)-2-phenyl-1-benzothiopyran-4-one
SpectraBase Compound ID D4SYznfGegM
InChI InChI=1S/C16H12O2S/c17-10-13-15(18)12-8-4-5-9-14(12)19-16(13)11-6-2-1-3-7-11/h1-9,17H,10H2
InChIKey RQJODNOXRPTMDT-UHFFFAOYSA-N
Mol Weight 268.33 g/mol
Molecular Formula C16H12O2S
Exact Mass 268.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jq7c7ue54H
Name 3-(hydroxymethyl)-2-phenyl-1-benzothiopyran-4-one
Alternate Name(s) 3-(hydroxymethyl)-2-phenyl-thiochromen-4-one 3-Methylol-2-phenyl-thiochromen-4-one
CAS Registry Number 93367-37-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O2S
InChI InChI=1S/C16H12O2S/c17-10-13-15(18)12-8-4-5-9-14(12)19-16(13)11-6-2-1-3-7-11/h1-9,17H,10H2
InChIKey RQJODNOXRPTMDT-UHFFFAOYSA-N
Molecular Weight 268.330 g/mol
SMILES OCC1=C(Sc2ccccc2C1=O)c1ccccc1
SPLASH splash10-0udi-0090000000-c67035a0a7464a16456c
Source of Spectrum AJ-57-2324-3
Wiley ID 1272261