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2,4-Dimethylphenyl isocyanate

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

2,4-Dimethylphenyl isocyanate
SpectraBase Compound ID FOqFVLtx7Tu
InChI InChI=1S/C9H9NO/c1-7-3-4-9(10-6-11)8(2)5-7/h3-5H,1-2H3
InChIKey QUOBVYPFBJUOAJ-UHFFFAOYSA-N
Mol Weight 147.18 g/mol
Molecular Formula C9H9NO
Exact Mass 147.068414 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7oj1rn51i1p
Name 2,4-Dimethylphenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 478539
CAS Registry Number 51163-29-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO
InChI InChI=1S/C9H9NO/c1-7-3-4-9(10-6-11)8(2)5-7/h3-5H,1-2H3
InChIKey QUOBVYPFBJUOAJ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_010263