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4,4'-Methylenedicarbanilic acid, bis(2-chloroethyl)ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

4,4'-Methylenedicarbanilic acid, bis(2-chloroethyl)ester
SpectraBase Compound ID 9uvL2TKtorv
InChI InChI=1S/C19H20Cl2N2O4/c20-9-11-26-18(24)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(25)27-12-10-21/h1-8H,9-13H2,(H,22,24)(H,23,25)
InChIKey ILRJFWFKCLXWPR-UHFFFAOYSA-N
Mol Weight 411.29 g/mol
Molecular Formula C19H20Cl2N2O4
Exact Mass 410.080013 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JCb9kyMPPTX
Name 4,4'-Methylenedicarbanilic acid, bis(2-chloroethyl)ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.080012528 u
Formula C19H20Cl2N2O4
InChI InChI=1S/C19H20Cl2N2O4/c20-9-11-26-18(24)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(25)27-12-10-21/h1-8H,9-13H2,(H,22,24)(H,23,25)
InChIKey ILRJFWFKCLXWPR-UHFFFAOYSA-N
Molecular Weight 411.285 g/mol
SMILES N(C1=CC=C(CC=2C=CC(=CC2)NC(OCCCl)=O)C=C1)C(OCCCl)=O
Spectrum/Structure Validation Score (Raman) 0.946671