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Isocyanic acid, methylenebis(2-methyl-p-phenylene) ester

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

Isocyanic acid, methylenebis(2-methyl-p-phenylene) ester
SpectraBase Compound ID BpEZauhZAgz
InChI InChI=1S/C17H14N2O2/c1-12-7-14(3-5-16(12)18-10-20)9-15-4-6-17(19-11-21)13(2)8-15/h3-8H,9H2,1-2H3
InChIKey DTZHXCBUWSTOPO-UHFFFAOYSA-N
Mol Weight 278.31 g/mol
Molecular Formula C17H14N2O2
Exact Mass 278.105528 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2cF6Ey4fUf5
Name Isocyanic acid, methylenebis(2-methyl-p-phenylene) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.105527697 u
Formula C17H14N2O2
InChI InChI=1S/C17H14N2O2/c1-12-7-14(3-5-16(12)18-10-20)9-15-4-6-17(19-11-21)13(2)8-15/h3-8H,9H2,1-2H3
InChIKey DTZHXCBUWSTOPO-UHFFFAOYSA-N
SMILES C=1(N=C=O)C(=CC(=CC1)CC1=CC(=C(N=C=O)C=C1)C)C
Spectrum/Structure Validation Score (Raman) 0.95825