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Hexamethylenedicarbamic acid, diisopropyl ester

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

Hexamethylenedicarbamic acid, diisopropyl ester
SpectraBase Compound ID GLB5lOm89rD
InChI InChI=1S/C14H28N2O4/c1-11(2)19-13(17)15-9-7-5-6-8-10-16-14(18)20-12(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)
InChIKey NZPGYDNGMYNZPZ-UHFFFAOYSA-N
Mol Weight 288.39 g/mol
Molecular Formula C14H28N2O4
Exact Mass 288.204907 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CpVIsNCAKBp
Name Hexamethylenedicarbamic acid, diisopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.204907386 u
Formula C14H28N2O4
InChI InChI=1S/C14H28N2O4/c1-11(2)19-13(17)15-9-7-5-6-8-10-16-14(18)20-12(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)
InChIKey NZPGYDNGMYNZPZ-UHFFFAOYSA-N
SMILES N(C(OC(C)C)=O)CCCCCCNC(OC(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.858075