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2-Methylbenzyl isocyanate

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

2-Methylbenzyl isocyanate
SpectraBase Compound ID ETFnTVp5Fv9
InChI InChI=1S/C9H9NO/c1-8-4-2-3-5-9(8)6-10-7-11/h2-5H,6H2,1H3
InChIKey VNHPWTGETWKSLP-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 1ggeS3Xfdts
Name 2-Methylbenzyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 496243
CAS Registry Number 56651-58-2
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/c1-8-4-2-3-5-9(8)6-10-7-11/h2-5H,6H2,1H3
InChIKey VNHPWTGETWKSLP-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_010313