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1-Isocyanato-4-cyclohexanecarbamic acid

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

1-Isocyanato-4-cyclohexanecarbamic acid
SpectraBase Compound ID IYSr0cAb2ZB
InChI InChI=1S/C8H12N2O3/c11-5-9-6-1-3-7(4-2-6)10-8(12)13/h6-7,10H,1-4H2,(H,12,13)
InChIKey KJJPTANQMLNDMO-UHFFFAOYSA-N
Mol Weight 184.19 g/mol
Molecular Formula C8H12N2O3
Exact Mass 184.084792 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HEoW1alLMeh
Name 1-Isocyanato-4-cyclohexanecarbamic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.084792251 u
Formula C8H12N2O3
InChI InChI=1S/C8H12N2O3/c11-5-9-6-1-3-7(4-2-6)10-8(12)13/h6-7,10H,1-4H2,(H,12,13)
InChIKey KJJPTANQMLNDMO-UHFFFAOYSA-N
Molecular Weight 184.195 g/mol
Nominal Mass 184 u
SMILES N(C1CCC(CC1)N=C=O)C(O)=O
Spectrum/Structure Validation Score (Raman) 0.937404