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D,L-1,3-dioxo-a-isopropyl-2-isoindolineacetic acid, pentachlorophenyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

D,L-1,3-dioxo-a-isopropyl-2-isoindolineacetic acid, pentachlorophenyl ester
SpectraBase Compound ID GHJcnVwDPAW
InChI InChI=1S/C19H12Cl5NO4/c1-7(2)15(25-17(26)8-5-3-4-6-9(8)18(25)27)19(28)29-16-13(23)11(21)10(20)12(22)14(16)24/h3-7,15H,1-2H3
InChIKey GHVKAQDSNQNODB-UHFFFAOYSA-N
Mol Weight 495.6 g/mol
Molecular Formula C19H12Cl5NO4
Exact Mass 492.920896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1lYh1tOO836
Name D,L-1,3-Dioxo-A-isopropyl-2-isoindolineacetic acid, pentachlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.920896366 u
Formula C19H12Cl5NO4
InChI InChI=1S/C19H12Cl5NO4/c1-7(2)15(25-17(26)8-5-3-4-6-9(8)18(25)27)19(28)29-16-13(23)11(21)10(20)12(22)14(16)24/h3-7,15H,1-2H3
InChIKey GHVKAQDSNQNODB-UHFFFAOYSA-N
Molecular Weight 495.573 g/mol
SMILES C=12C=CC=CC1C(N(C2=O)C(C(C)C)C(OC=1C(=C(C(=C(C1Cl)Cl)Cl)Cl)Cl)=O)=O