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4-Cyano-4'-methylstilbene; 4-stilbenecarbonitrile, 4'-methyl-; benzonitrile, 4-[2-(4-methylphenyl)ethenyl]-
SpectraBase Compound ID 9fS2On6Y7Ha
InChI InChI=1S/C16H13N/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(12-17)11-9-15/h2-11H,1H3/b7-6+
InChIKey XDRQSWIHRYSNDY-VOTSOKGWSA-N
Mol Weight 219.29 g/mol
Molecular Formula C16H13N
Exact Mass 219.104799 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CFq4lgAlprW
Name 4-Cyano-4'-methylstilbene; 4-stilbenecarbonitrile, 4'-methyl-; benzonitrile, 4-[2-(4-methylphenyl)ethenyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.104799423 u
Formula C16H13N
InChI InChI=1S/C16H13N/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(12-17)11-9-15/h2-11H,1H3/b7-6+
InChIKey XDRQSWIHRYSNDY-VOTSOKGWSA-N
Molecular Weight 219.287 g/mol
SMILES C1(=CC=C(C=C1)C#N)\C=C\C1=CC=C(C=C1)C
Spectrum/Structure Validation Score (Raman) 0.950577