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4-(Methylthio)phenyl isothiocyanate

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

4-(Methylthio)phenyl isothiocyanate
SpectraBase Compound ID 1emCqTp1srw
InChI InChI=1S/C8H7NS2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3
InChIKey CEBAJHCAFXYWNT-UHFFFAOYSA-N
Mol Weight 181.27 g/mol
Molecular Formula C8H7NS2
Exact Mass 181.001992 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7724CVQGE09
Name 4-(Methylthio)phenyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 468509
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NS2
InChI InChI=1S/C8H7NS2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3
InChIKey CEBAJHCAFXYWNT-UHFFFAOYSA-N
Molecular Weight 181.271 g/mol
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014736