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Isothiocyanic acid, benzyl ester

View entire compound with spectra: 6 NMR, 9 FTIR, 1 Raman, and 13 MS (GC)

Isothiocyanic acid, benzyl ester
SpectraBase Compound ID 9jITZM8HycG
InChI InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N
Mol Weight 149.21 g/mol
Molecular Formula C8H7NS
Exact Mass 149.02992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7yemCAnq6Xu
Name BENZYL-ISOTHIOCYANATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7NS
InChI InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N
Literature Reference Author S.TALAB,K.K.TAHA,J.LUGTENBURG
Literature Reference Citation MOLECULES,19,1023(2014)
Literature Reference DOI 10.3390/molecules19011023
Molecular Weight 149.210 g/mol
Solvent DMSO-D6
Source File Reference UWBT14701