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4-Methyl-3-nitrophenyl isocyanate

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 Raman

4-Methyl-3-nitrophenyl isocyanate
SpectraBase Compound ID D0aukGEFeV1
InChI 1S/C8H6N2O3/c1-6-2-3-7(9-5-11)4-8(6)10(12)13/h2-4H,1H3
InChIKey OIORBBLUSMONPW-UHFFFAOYSA-N
Mol Weight 178.15 g/mol
Molecular Formula C8H6N2O3
Exact Mass 178.037842 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GIuPt0wpRcW
Name 4-Methyl-3-nitrophenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 439975
CAS Registry Number 13471-69-7
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O3
InChI 1S/C8H6N2O3/c1-6-2-3-7(9-5-11)4-8(6)10(12)13/h2-4H,1H3
InChIKey OIORBBLUSMONPW-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_009656