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4H-1-benzothiopyran-4-one, 3-(hydroxymethyl)-

View entire compound with spectra: 1 MS (GC)

4H-1-benzothiopyran-4-one, 3-(hydroxymethyl)-
SpectraBase Compound ID 8Idu8MbBdcB
InChI InChI=1S/C10H8O2S/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,6,11H,5H2
InChIKey XKMBIEGQWHOZET-UHFFFAOYSA-N
Mol Weight 192.23 g/mol
Molecular Formula C10H8O2S
Exact Mass 192.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKP9IG691Qy
Name 4H-1-benzothiopyran-4-one, 3-(hydroxymethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8O2S
InChI InChI=1S/C10H8O2S/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,6,11H,5H2
InChIKey XKMBIEGQWHOZET-UHFFFAOYSA-N
Molecular Weight 192.232 g/mol
SMILES OCC1=CSc2ccccc2C1=O
SPLASH splash10-01ox-5900000000-748dc88b0ecfcf99ed20
Source of Spectrum JX-2015-5-271
Synonyms 3-(hydroxymethyl)-4H-thiochromen-4-one 3-(hydroxymethyl)-1-benzothiopyran-4-one 3-(hydroxymethyl)thiochromen-4-one
Wiley ID 1727120