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2,3,4,4a,10,10a-hexahydro-10a-hydroxy-1H-thioxanthen-1-one
SpectraBase Compound ID HyWVqpJE4iO
InChI InChI=1S/C13H14O2S/c14-11-5-3-6-12-10(11)8-9-4-1-2-7-13(9,15)16-12/h1-2,4,8,12,15H,3,5-7H2
InChIKey WWVVZXCZJDLTSO-UHFFFAOYSA-N
Mol Weight 234.31 g/mol
Molecular Formula C13H14O2S
Exact Mass 234.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOK7dHTfWnV
Name 2,3,4,4a,10,10a-hexahydro-10a-hydroxy-1H-thioxanthen-1-one
CAS Registry Number 124921-69-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c14-11-5-3-6-12-10(11)8-9-4-1-2-7-13(9,15)16-12/h1-2,4,8,12,15H,3,5-7H2
InChIKey WWVVZXCZJDLTSO-UHFFFAOYSA-N
Molecular Weight 234.313 g/mol
SMILES OC12SC3C(=CC1=CC=CC2)C(=O)CCC3
SPLASH splash10-0229-0910000000-f440eaa1b12d9829eb06
Source of Spectrum K-123-1148-7
Synonyms 5a-hydroxy-2,3,4,4a,5a,6-hexahydro-1H-dibenzo[b,e]thiopyran-1-one
Wiley ID 1235846