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4-Cyanophenyl isocyanate
SpectraBase Compound ID Ds5SKVpAGDt
InChI InChI=1S/C8H4N2O/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H
InChIKey TVSXDZNUTPLDKY-UHFFFAOYSA-N
Mol Weight 144.13 g/mol
Molecular Formula C8H4N2O
Exact Mass 144.032363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ik6yaB0zyq8
Name 4-Isocyanatobenzonitrile
CAS Registry Number 40465-45-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4N2O
InChI InChI=1S/C8H4N2O/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H
InChIKey TVSXDZNUTPLDKY-UHFFFAOYSA-N
Molecular Weight 144.133 g/mol
SMILES C(c1ccc(cc1)N=C=O)#N
SPLASH splash10-0006-5900000000-700afaee329544a6623d
Source of Spectrum W6-6502-0-0
Synonyms 4-Cyanophenyl isocyanate 4-Isocyanatobenzenecarbonitrile Benzonitrile, 4-isocyanato- p-Cyanophenyl isocyanate EINECS 254-934-0
Wiley ID 82996