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4-(Methylthio)phenyl isocyanate

View entire compound with spectra: 2 NMR, 4 FTIR, 1 Raman, and 1 MS (GC)

4-(Methylthio)phenyl isocyanate
SpectraBase Compound ID 3fOKNaXMunL
InChI InChI=1S/C8H7NOS/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3
InChIKey QNKQBDZVEKZFBN-UHFFFAOYSA-N
Mol Weight 165.21 g/mol
Molecular Formula C8H7NOS
Exact Mass 165.024835 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9GCYIa1cZch
Name 4-(Methylthio)phenyl isocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 415960
CAS Registry Number 1632-84-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NOS
InChI InChI=1S/C8H7NOS/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3
InChIKey QNKQBDZVEKZFBN-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_009137