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2-Tert-butylphenyl isocyanate

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

2-Tert-butylphenyl isocyanate
SpectraBase Compound ID A0HddRLwkX9
InChI InChI=1S/C11H13NO/c1-11(2,3)9-6-4-5-7-10(9)12-8-13/h4-7H,1-3H3
InChIKey YQQNLONQWMLAQX-UHFFFAOYSA-N
Mol Weight 175.23 g/mol
Molecular Formula C11H13NO
Exact Mass 175.099714 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Oyth2UL5gb
Name 2-tert-Butylphenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 512958
CAS Registry Number 56309-60-5
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO
InChI 1S/C11H13NO/c1-11(2,3)9-6-4-5-7-10(9)12-8-13/h4-7H,1-3H3
InChIKey YQQNLONQWMLAQX-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_010350