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6-Methylthiochroman-4-ol 1-oxide
SpectraBase Compound ID 8ZtRCvgSd43
InChI InChI=1S/C10H12O2S/c1-7-2-3-10-8(6-7)9(11)4-5-13(10)12/h2-3,6,9,11H,4-5H2,1H3
InChIKey XDOPOTDIKSFKCC-UHFFFAOYSA-N
Mol Weight 196.26 g/mol
Molecular Formula C10H12O2S
Exact Mass 196.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DwuO5jujsg
Name 6-Methylthiochroman-4-ol 1-oxide
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c1-7-2-3-10-8(6-7)9(11)4-5-13(10)12/h2-3,6,9,11H,4-5H2,1H3
InChIKey XDOPOTDIKSFKCC-UHFFFAOYSA-N
Instrument Name GC-MS Thermoquest, VG Autospec-Q
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00298
Molecular Weight 196.264 g/mol
Reported Formula C10H12O2S
SMILES OC1c2cc(ccc2S(CC1)=O)C
SPLASH splash10-0fb9-1900000000-79f630783cc59769f73a
Source of Spectrum G4-81-1039-4
Wiley ID 1867659