| SpectraBase Compound ID | JaZnExhI91D |
|---|---|
| InChI | InChI=1S/C25H16N2O2/c26-17-22(18-27)23(19-10-4-1-5-11-19)16-24(20-12-6-2-7-13-20)29-25(28)21-14-8-3-9-15-21/h1-16H/b24-16- |
| InChIKey | ZZBXNHMLUSRFHU-JLPGSUDCSA-N |
| Mol Weight | 376.42 g/mol |
| Molecular Formula | C25H16N2O2 |
| Exact Mass | 376.121178 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BY7LbtY8Glv |
|---|---|
| Name | (Z)-4,4-Dicyano-1,3-diphenylbuta-1,3-dienyl benzoate |
| Alternate Name(s) | (1Z)-4,4-dicyano-1,3-diphenyl-1,3-butadienyl benzoate benzoic acid[(1Z)-4,4-dicyano-1,3-diphenyl-buta-1,3-dienyl]ester [(1Z)-4,4-dicyano-1,3-diphenyl-buta-1,3-dienyl]benzoate benzoic acid [(1Z)-4,4-dicyano-1,3-diphenylbuta-1,3-dienyl] ester [(1Z)-4,4-dicyano-1,3-diphenylbuta-1,3-dienyl] benzoate [(1Z)-4,4-dicyano-1,3-diphenyl-buta-1,3-dienyl] benzoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H16N2O2 |
| InChI | InChI=1S/C25H16N2O2/c26-17-22(18-27)23(19-10-4-1-5-11-19)16-24(20-12-6-2-7-13-20)29-25(28)21-14-8-3-9-15-21/h1-16H/b24-16- |
| InChIKey | ZZBXNHMLUSRFHU-JLPGSUDCSA-N |
| Molecular Weight | 376.415 g/mol |
| SMILES | C(c1ccccc1)(=O)O\C(=C/C(=C(C#N)C#N)c1ccccc1)c1ccccc1 |
| SPLASH | splash10-0a4i-0900000000-b1863b9796b01f59ff8a |
| Source of Spectrum | K-2001-505-13 |
| Wiley ID | 1578590 |