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Benzenepropanoic acid, 2-chloro-alpha-cyano-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-methyl-, ethyl ester

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Benzenepropanoic acid, 2-chloro-alpha-cyano-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-methyl-, ethyl ester
SpectraBase Compound ID 7ECkTYaqbUh
InChI InChI=1S/C21H21ClN2O4/c1-3-28-20(27)21(2,12-23)11-13-10-14(8-9-17(13)22)24-18(25)15-6-4-5-7-16(15)19(24)26/h8-10H,3-7,11H2,1-2H3
InChIKey TXPOLVCITUEFAV-UHFFFAOYSA-N
Mol Weight 400.86 g/mol
Molecular Formula C21H21ClN2O4
Exact Mass 400.118985 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7IUfXj4asJF
Name Benzenepropanoic acid, 2-chloro-alpha-cyano-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-methyl-, ethyl ester
CAS Registry Number 121482-04-0
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H21ClN2O4
InChI InChI=1S/C21H21ClN2O4/c1-3-28-20(27)21(2,12-23)11-13-10-14(8-9-17(13)22)24-18(25)15-6-4-5-7-16(15)19(24)26/h8-10H,3-7,11H2,1-2H3
InChIKey TXPOLVCITUEFAV-UHFFFAOYSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Technique KBr-Pellet