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Acetic acid, [[[2-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-1,3-dithiolan-4-yl]methyl]thio]-, methyl ester

View entire compound with spectra: 1 FTIR

Acetic acid, [[[2-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-1,3-dithiolan-4-yl]methyl]thio]-, methyl ester
SpectraBase Compound ID BBfG94Z1247
InChI InChI=1S/C21H22ClNO4S3/c1-27-18(24)11-28-9-13-10-29-21(30-13)16-8-12(6-7-17(16)22)23-19(25)14-4-2-3-5-15(14)20(23)26/h6-8,13,21H,2-5,9-11H2,1H3
InChIKey AKTBQKBYIPPXPP-UHFFFAOYSA-N
Mol Weight 484.04 g/mol
Molecular Formula C21H22ClNO4S3
Exact Mass 483.039949 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4Upr5RYvgtV
Name Acetic acid, [[[2-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-1,3-dithiolan-4-yl]methyl]thio]-, methyl ester
CAS Registry Number 132057-70-6
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H22ClNO4S3
InChI InChI=1S/C21H22ClNO4S3/c1-27-18(24)11-28-9-13-10-29-21(30-13)16-8-12(6-7-17(16)22)23-19(25)14-4-2-3-5-15(14)20(23)26/h6-8,13,21H,2-5,9-11H2,1H3
InChIKey AKTBQKBYIPPXPP-UHFFFAOYSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Technique Film