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3,5-Dimethylphenyl isocyanate

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

3,5-Dimethylphenyl isocyanate
SpectraBase Compound ID 8E8Sk2yeBDb
InChI InChI=1S/C9H9NO/c1-7-3-8(2)5-9(4-7)10-6-11/h3-5H,1-2H3
InChIKey DZSGDHNHQAJZCO-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 1RPknNCm5Yb
Name 3,5-Dimethylphenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 390100
CAS Registry Number 54132-75-1
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/c1-7-3-8(2)5-9(4-7)10-6-11/h3-5H,1-2H3
InChIKey DZSGDHNHQAJZCO-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008520