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3-Acetylphenyl isocyanate

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

3-Acetylphenyl isocyanate
SpectraBase Compound ID GD6QIHFmxnR
InChI InChI=1S/C9H7NO2/c1-7(12)8-3-2-4-9(5-8)10-6-11/h2-5H,1H3
InChIKey JASTZOAHAWBRLM-UHFFFAOYSA-N
Mol Weight 161.16 g/mol
Molecular Formula C9H7NO2
Exact Mass 161.047678 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GYByMGv5SMG
Name 3-Acetylphenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 439940
CAS Registry Number 23138-64-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO2
InChI InChI=1S/C9H7NO2/c1-7(12)8-3-2-4-9(5-8)10-6-11/h2-5H,1H3
InChIKey JASTZOAHAWBRLM-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_009653