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4-Methyl-2-nitrophenyl isocyanate

View entire compound with spectra: 2 NMR

4-Methyl-2-nitrophenyl isocyanate
SpectraBase Compound ID 8jQ0Sa0sNEr
InChI InChI=1S/C8H6N2O3/c1-6-2-3-7(9-5-11)8(4-6)10(12)13/h2-4H,1H3
InChIKey RTXDHIPQKZLDJD-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 5gj7CHhJORo
Name 4-Methyl-2-nitrophenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 478334
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O3
InChI InChI=1S/C8H6N2O3/c1-6-2-3-7(9-5-11)8(4-6)10(12)13/h2-4H,1H3
InChIKey RTXDHIPQKZLDJD-UHFFFAOYSA-N
Molecular Weight 178.147 g/mol
Observed nucleus 13C
Purity 95%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014793