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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3NokIfxTJk
Name benzyl isothiocyanate
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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 DOI 10.1016/j.jpba.2016.11.018
Molecular Weight 149.211 g/mol
SMILES C(c1ccccc1)N=C=S
SPLASH splash10-0006-9000000000-ece09cbf9ddcedec8da8
Source of Spectrum Mohamed A.Farag, et al. Journal of Pharmaceutical and Biomedical Analysis, 10.1016/j.jpba.2016.11.018
Synonyms (isothiocyanatomethyl)benzene
Wiley ID 1816737