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5-[o-(Cyanomethyl)benzyl]-1,2,4-tricyanobenzene

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

5-[o-(Cyanomethyl)benzyl]-1,2,4-tricyanobenzene
SpectraBase Compound ID CgGVtciEngF
InChI InChI=1S/C18H10N4/c19-6-5-13-3-1-2-4-14(13)7-15-8-17(11-21)18(12-22)9-16(15)10-20/h1-4,8-9H,5,7H2
InChIKey VFNXJOUFIYKMPQ-UHFFFAOYSA-N
Mol Weight 282.31 g/mol
Molecular Formula C18H10N4
Exact Mass 282.090546 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EbqKbmwOl7k
Name 5-[o-(Cyanomethyl)benzyl]-1,2,4-tricyanobenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.090546338 u
Formula C18H10N4
InChI InChI=1S/C18H10N4/c19-6-5-13-3-1-2-4-14(13)7-15-8-17(11-21)18(12-22)9-16(15)10-20/h1-4,8-9H,5,7H2
InChIKey VFNXJOUFIYKMPQ-UHFFFAOYSA-N
SMILES C1(=C(C#N)C=C(C(=C1)C#N)C#N)CC=1C(CC#N)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915497