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4,4'-Methylenedicarbarbanilic acid, diisopropyl ester

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

4,4'-Methylenedicarbarbanilic acid, diisopropyl ester
SpectraBase Compound ID LIHbZkvILIh
InChI InChI=1S/C21H26N2O4/c1-14(2)26-20(24)22-18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)23-21(25)27-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKey ULCFANPHZAXCFJ-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C21H26N2O4
Exact Mass 370.189257 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KMNoSdkN8Ou
Name 4,4'-Methylenedicarbarbanilic acid, diisopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.189257321 u
Formula C21H26N2O4
InChI InChI=1S/C21H26N2O4/c1-14(2)26-20(24)22-18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)23-21(25)27-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKey ULCFANPHZAXCFJ-UHFFFAOYSA-N
Molecular Weight 370.449 g/mol
SMILES N(C1=CC=C(CC=2C=CC(=CC2)NC(OC(C)C)=O)C=C1)C(OC(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.934966