For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-(4-Oxo-4H-thiochromen-2-yl)benzoic acid
SpectraBase Compound ID D8bjk40OxCT
InChI InChI=1S/C16H10O3S/c17-13-9-15(20-14-7-2-1-6-12(13)14)10-4-3-5-11(8-10)16(18)19/h1-9H,(H,18,19)
InChIKey KBFAFDJTMJZIOC-UHFFFAOYSA-N
Mol Weight 282.31 g/mol
Molecular Formula C16H10O3S
Exact Mass 282.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BMpV4Ttoxh7
Name 3-(4-Oxo-4H-thiochromen-2-yl)benzoic acid
Alternate Name(s) 3-(4-ketothiochromen-2-yl)benzoic acid 3-(4-oxidanylidenethiochromen-2-yl)benzoic acid 3-(4-oxo-1-benzothiopyran-2-yl)benzoic acid 3-(4-oxothiochromen-2-yl)benzoic acid Benzoic acid, 3-(4-oxo-4H-thiochromen-2-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10O3S
InChI InChI=1S/C16H10O3S/c17-13-9-15(20-14-7-2-1-6-12(13)14)10-4-3-5-11(8-10)16(18)19/h1-9H,(H,18,19)
InChIKey KBFAFDJTMJZIOC-UHFFFAOYSA-N
Molecular Weight 282.313 g/mol
SMILES OC(c1cc(C=2Sc3ccccc3C(C2)=O)ccc1)=O
SPLASH splash10-0kai-2590000000-5762d14a4fd629fa1052
Source of Spectrum AD-0-2532-0
Wiley ID 1419774