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4H-1-Benzothiopyran, ethanethioic acid deriv.
SpectraBase Compound ID 4BGeSOeAaoA
InChI InChI=1S/C11H8O2S2/c1-7(12)14-11-6-9(13)8-4-2-3-5-10(8)15-11/h2-6H,1H3
InChIKey LJDORCQOMZSTRQ-UHFFFAOYSA-N
Mol Weight 236.3 g/mol
Molecular Formula C11H8O2S2
Exact Mass 235.996572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bmIYeucgJn
Name 4H-1-Benzothiopyran, ethanethioic acid deriv.
CAS Registry Number 112519-46-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8O2S2
InChI InChI=1S/C11H8O2S2/c1-7(12)14-11-6-9(13)8-4-2-3-5-10(8)15-11/h2-6H,1H3
InChIKey LJDORCQOMZSTRQ-UHFFFAOYSA-N
Molecular Weight 236.303 g/mol
SMILES C1(=CC(=O)c2c(S1)cccc2)SC(=O)C
SPLASH splash10-0f76-0900000000-3229c1fccf77073ee58a
Source of Spectrum B-40-1189-17
Synonyms Ethanethioic acid, S-(4-oxo-4H-1-benzothiopyran-2-yl) ester 2-(acetylthio)-1-thiochromone S-(4-oxo-4H-1-benzothiopyran-2-yl) ethanethioate
Wiley ID 1237703