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Hexamethylenedicarbamic acid, diethyl ester

View entire compound with spectra: 3 NMR, 2 FTIR, 1 Raman, and 2 MS (GC)

Hexamethylenedicarbamic acid, diethyl ester
SpectraBase Compound ID 9Io6D2IIlpt
InChI InChI=1S/C12H24N2O4/c1-3-17-11(15)13-9-7-5-6-8-10-14-12(16)18-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKey FWKGEANWQNXYRM-UHFFFAOYSA-N
Mol Weight 260.33 g/mol
Molecular Formula C12H24N2O4
Exact Mass 260.173607 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 99HJebHJmV4
Name Hexamethylenedicarbamic acid, diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.173607257 u
Formula C12H24N2O4
InChI InChI=1S/C12H24N2O4/c1-3-17-11(15)13-9-7-5-6-8-10-14-12(16)18-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKey FWKGEANWQNXYRM-UHFFFAOYSA-N
Molecular Weight 260.334 g/mol
SMILES N(C(OCC)=O)CCCCCCNC(OCC)=O
Spectrum/Structure Validation Score (Raman) 0.902049