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3,5-Dinitrophenyl isocyanate

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

3,5-Dinitrophenyl isocyanate
SpectraBase Compound ID 7SWhG6r14P
InChI InChI=1S/C7H3N3O5/c11-4-8-5-1-6(9(12)13)3-7(2-5)10(14)15/h1-3H
InChIKey JZPRXQSCMBDGKP-UHFFFAOYSA-N
Mol Weight 209.12 g/mol
Molecular Formula C7H3N3O5
Exact Mass 209.00727 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K9LpPv13iM8
Name 3,5-Dinitrophenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 440450
CAS Registry Number 59776-60-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3N3O5
InChI InChI=1S/C7H3N3O5/c11-4-8-5-1-6(9(12)13)3-7(2-5)10(14)15/h1-3H
InChIKey JZPRXQSCMBDGKP-UHFFFAOYSA-N
Observed nucleus 13C
Purity 95%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_009669