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3-Cyanophenyl isothiocyanate

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

3-Cyanophenyl isothiocyanate
SpectraBase Compound ID EKx7SHacKlW
InChI InChI=1S/C8H4N2S/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
InChIKey UXCYPHCFQAFVFH-UHFFFAOYSA-N
Mol Weight 160.19 g/mol
Molecular Formula C8H4N2S
Exact Mass 160.009519 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4YqhqytbQRI
Name 3-Cyanophenyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 496642
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4N2S
InChI InChI=1S/C8H4N2S/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
InChIKey UXCYPHCFQAFVFH-UHFFFAOYSA-N
Molecular Weight 160.194 g/mol
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_014799