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Benzoic acid, 4-methyl-, 2-[1,2-benzisothiazol-3-yl(4-methylphenyl)amino]ethyl ester, S,S-dioxide
SpectraBase Compound ID 9h2Etgz4lG4
InChI InChI=1S/C24H22N2O4S/c1-17-7-11-19(12-8-17)24(27)30-16-15-26(20-13-9-18(2)10-14-20)23-21-5-3-4-6-22(21)31(28,29)25-23/h3-14H,15-16H2,1-2H3
InChIKey GYKMAJGOFJBCCP-UHFFFAOYSA-N
Mol Weight 434.51 g/mol
Molecular Formula C24H22N2O4S
Exact Mass 434.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZAQoj1NKZ0
Name Benzoic acid, 4-methyl-, 2-[1,2-benzisothiazol-3-yl(4-methylphenyl)amino]ethyl ester, S,S-dioxide
Alternate Name(s) 4-Methylbenzoic acid 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylanilino)ethyl ester 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylanilino)ethyl 4-methylbenzoate 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methyl-anilino)ethyl 4-methylbenzoate 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-(4-methylphenyl)amino]ethyl 4-methylbenzoate
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Formula C24H22N2O4S
InChI InChI=1S/C24H22N2O4S/c1-17-7-11-19(12-8-17)24(27)30-16-15-26(20-13-9-18(2)10-14-20)23-21-5-3-4-6-22(21)31(28,29)25-23/h3-14H,15-16H2,1-2H3
InChIKey GYKMAJGOFJBCCP-UHFFFAOYSA-N
Molecular Weight 434.510 g/mol
SMILES c1ccc2c(S(N=C2N(c2ccc(cc2)C)CCOC(c2ccc(cc2)C)=O)(=O)=O)c1
SPLASH splash10-00lu-7690000000-41c7d63469d2a0a18cbe
Source of Spectrum IY-1-4575-8
Wiley ID 1653741