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1-Isocyanatonaphthalene-5-carbamic acid

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

1-Isocyanatonaphthalene-5-carbamic acid
SpectraBase Compound ID I2B1U90Ctun
InChI InChI=1S/C12H8N2O3/c15-7-13-10-5-1-4-9-8(10)3-2-6-11(9)14-12(16)17/h1-6,14H,(H,16,17)
InChIKey KKDDVEXYSZFTFE-UHFFFAOYSA-N
Mol Weight 228.21 g/mol
Molecular Formula C12H8N2O3
Exact Mass 228.053492 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID ARo8J9wrkID
Name 1-Isocyanatonaphthalene-5-carbamic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.053492123 u
Formula C12H8N2O3
InChI InChI=1S/C12H8N2O3/c15-7-13-10-5-1-4-9-8(10)3-2-6-11(9)14-12(16)17/h1-6,14H,(H,16,17)
InChIKey KKDDVEXYSZFTFE-UHFFFAOYSA-N
Molecular Weight 228.207 g/mol
Nominal Mass 228 u
SMILES N(C=1C=2C=CC=C(C2C=CC1)N=C=O)C(O)=O
Spectrum/Structure Validation Score (Raman) 0.713392