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

View entire compound with spectra: 1 FTIR

2-Propenoic acid, 3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-2-methyl-, 2-propynyl ester
SpectraBase Compound ID FlZlY2aIfmC
InChI InChI=1S/C21H18ClNO4/c1-3-10-27-21(26)13(2)11-14-12-15(8-9-18(14)22)23-19(24)16-6-4-5-7-17(16)20(23)25/h1,8-9,11-12H,4-7,10H2,2H3/b13-11+
InChIKey UKUQMPXEHWGQQP-ACCUITESSA-N
Mol Weight 383.83 g/mol
Molecular Formula C21H18ClNO4
Exact Mass 383.092436 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 603RboNmxoM
Name 2-Propenoic acid, 3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-2-methyl-, 2-propynyl ester
CAS Registry Number 132057-25-1
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H18ClNO4
InChI InChI=1S/C21H18ClNO4/c1-3-10-27-21(26)13(2)11-14-12-15(8-9-18(14)22)23-19(24)16-6-4-5-7-17(16)20(23)25/h1,8-9,11-12H,4-7,10H2,2H3/b13-11+
InChIKey UKUQMPXEHWGQQP-ACCUITESSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Technique KBr-Pellet