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4,4'-Methylenedicarbanilic acid, dicyclohexyl ester

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

4,4'-Methylenedicarbanilic acid, dicyclohexyl ester
SpectraBase Compound ID 1vCNFs0LCgH
InChI InChI=1S/C27H34N2O4/c30-26(32-24-7-3-1-4-8-24)28-22-15-11-20(12-16-22)19-21-13-17-23(18-14-21)29-27(31)33-25-9-5-2-6-10-25/h11-18,24-25H,1-10,19H2,(H,28,30)(H,29,31)
InChIKey LIMGWHSDVWULRD-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C27H34N2O4
Exact Mass 450.251858 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID J1t8VdgCWQD
Name 4,4'-Methylenedicarbanilic acid, dicyclohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.251857579 u
Formula C27H34N2O4
InChI InChI=1S/C27H34N2O4/c30-26(32-24-7-3-1-4-8-24)28-22-15-11-20(12-16-22)19-21-13-17-23(18-14-21)29-27(31)33-25-9-5-2-6-10-25/h11-18,24-25H,1-10,19H2,(H,28,30)(H,29,31)
InChIKey LIMGWHSDVWULRD-UHFFFAOYSA-N
Molecular Weight 450.579 g/mol
SMILES N(C(OC1CCCCC1)=O)C=1C=CC(CC=2C=CC(=CC2)NC(OC2CCCCC2)=O)=CC1
Spectrum/Structure Validation Score (Raman) 0.94801