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

*Links on SpectraBase are not permalinks.
Benzoic acid, 4-[[3-oxo-1,2-benzisothiazol-2(3H)-yl]methyl]-, methyl ester, S,S-dioxide
SpectraBase Compound ID 64hQDsBAyxD
InChI InChI=1S/C16H13NO5S/c1-22-16(19)12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)23(17,20)21/h2-9H,10H2,1H3
InChIKey OHEACIPGVRWTCE-UHFFFAOYSA-N
Mol Weight 331.34 g/mol
Molecular Formula C16H13NO5S
Exact Mass 331.051444 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 LBiu2KcUz30
Name Benzoic acid, 4-[[3-oxo-1,2-benzisothiazol-2(3H)-yl]methyl]-, methyl ester, S,S-dioxide
Alternate Name(s) 4-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methyl]benzoic acid methyl ester 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid methyl ester Methyl 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoate Methyl 4-[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl]benzoate Methyl 4-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO5S
InChI InChI=1S/C16H13NO5S/c1-22-16(19)12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)23(17,20)21/h2-9H,10H2,1H3
InChIKey OHEACIPGVRWTCE-UHFFFAOYSA-N
Molecular Weight 331.342 g/mol
SMILES c1ccc2c(S(N(C2=O)Cc2ccc(C(=O)OC)cc2)(=O)=O)c1
SPLASH splash10-014i-3591000000-c0917063fdeb2b140573
Wiley ID 1450112