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2,1-Benzisothiazole-6-carboxylic acid, 3,4,7-triphenyl-, methyl ester
SpectraBase Compound ID KSWI47AdAca
InChI InChI=1S/C27H19NO2S/c1-30-27(29)22-17-21(18-11-5-2-6-12-18)24-25(23(22)19-13-7-3-8-14-19)28-31-26(24)20-15-9-4-10-16-20/h2-17H,1H3
InChIKey DSMHRJKCTGTPEP-UHFFFAOYSA-N
Mol Weight 421.51 g/mol
Molecular Formula C27H19NO2S
Exact Mass 421.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rZ7zWCpRNM
Name 2,1-Benzisothiazole-6-carboxylic acid, 3,4,7-triphenyl-, methyl ester
Alternate Name(s) Methyl 3,4,7-triphenyl-2,1-benzisothiazole-6-carboxylate Methyl ester of 3,4,7-triphenyl-2,1-benzisothiazol-6-carboxylic acid
CAS Registry Number 61165-02-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19NO2S
InChI InChI=1S/C27H19NO2S/c1-30-27(29)22-17-21(18-11-5-2-6-12-18)24-25(23(22)19-13-7-3-8-14-19)28-31-26(24)20-15-9-4-10-16-20/h2-17H,1H3
InChIKey DSMHRJKCTGTPEP-UHFFFAOYSA-N
Molecular Weight 421.514 g/mol
SMILES c12c(c(-c3ccccc3)c(cc1-c1ccccc1)C(=O)OC)nsc2-c1ccccc1
SPLASH splash10-00di-0001900000-30ccba553e86e0944c91
Source of Spectrum K-112-274-0
Wiley ID 1378358