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2-Isothiocyanatobenzonitrile
SpectraBase Compound ID BIGiolV401O
InChI InChI=1S/C8H4N2S/c9-5-7-3-1-2-4-8(7)10-6-11/h1-4H
InChIKey GDHYPPBFBJXNRE-UHFFFAOYSA-N
Mol Weight 160.19 g/mol
Molecular Formula C8H4N2S
Exact Mass 160.009519 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FoEUOythdTP
Name 2-Isothiocyanatobenzonitrile
CAS Registry Number 81431-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4N2S
InChI InChI=1S/C8H4N2S/c9-5-7-3-1-2-4-8(7)10-6-11/h1-4H
InChIKey GDHYPPBFBJXNRE-UHFFFAOYSA-N
Molecular Weight 160.194 g/mol
SMILES c1(c(cccc1)C#N)N=C=S
SPLASH splash10-0ik9-7900000000-34f059f0e2fbf7039c72
Source of Spectrum NP-1-9380-0
Synonyms 2-Cyanophenyl isothiocyanate 2-Isothiocyanatobenzenecarbonitrile
Wiley ID 1099996