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(4-Methyl-m-phenylene)dicarbamic acid, bis(2-methylcyclohexyl)ester

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

(4-Methyl-m-phenylene)dicarbamic acid, bis(2-methylcyclohexyl)ester
SpectraBase Compound ID HEc1BkPuQ7O
InChI InChI=1S/C23H34N2O4/c1-15-12-13-18(24-22(26)28-20-10-6-4-8-16(20)2)14-19(15)25-23(27)29-21-11-7-5-9-17(21)3/h12-14,16-17,20-21H,4-11H2,1-3H3,(H,24,26)(H,25,27)
InChIKey VWJAMOYXRAVDFS-UHFFFAOYSA-N
Mol Weight 402.5 g/mol
Molecular Formula C23H34N2O4
Exact Mass 402.251858 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4JH3nVx8549
Name (4-Methyl-m-phenylene)dicarbamic acid, bis(2-methylcyclohexyl)ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.251857579 u
Formula C23H34N2O4
InChI InChI=1S/C23H34N2O4/c1-15-12-13-18(24-22(26)28-20-10-6-4-8-16(20)2)14-19(15)25-23(27)29-21-11-7-5-9-17(21)3/h12-14,16-17,20-21H,4-11H2,1-3H3,(H,24,26)(H,25,27)
InChIKey VWJAMOYXRAVDFS-UHFFFAOYSA-N
Molecular Weight 402.535 g/mol
SMILES N(C(OC1C(CCCC1)C)=O)C=1C=CC(=C(C1)NC(OC1C(CCCC1)C)=O)C
Spectrum/Structure Validation Score (Raman) 0.828894