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Benzoic acid, 4-(4H-4-oxobenzothiopyran-2-yl)-

View entire compound with spectra: 1 MS (GC)

Benzoic acid, 4-(4H-4-oxobenzothiopyran-2-yl)-
SpectraBase Compound ID I5cDNqXumi9
InChI InChI=1S/C16H10O3S/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H,(H,18,19)
InChIKey WXMVEPDTGGYVLV-UHFFFAOYSA-N
Mol Weight 282.31 g/mol
Molecular Formula C16H10O3S
Exact Mass 282.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WwciJF2mAy
Name Benzoic acid, 4-(4H-4-oxobenzothiopyran-2-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10O3S
InChI InChI=1S/C16H10O3S/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H,(H,18,19)
InChIKey WXMVEPDTGGYVLV-UHFFFAOYSA-N
Molecular Weight 282.313 g/mol
SMILES OC(c1ccc(C=2Sc3ccccc3C(C2)=O)cc1)=O
SPLASH splash10-0kd0-6790000000-5103e6e6a02db8c9a9fc
Source of Spectrum AD-0-2532-0
Synonyms 4-(4-ketothiochromen-2-yl)benzoic acid 4-(4-oxidanylidenethiochromen-2-yl)benzoic acid 4-(4-oxo-1-benzothiopyran-2-yl)benzoic acid 4-(4-Oxo-4H-thiochromen-2-yl)benzoic acid 4-(4-oxothiochromen-2-yl)benzoic acid
Wiley ID 1423932