| SpectraBase Compound ID | 5euD8fTZ8H9 |
|---|---|
| InChI | InChI=1S/C12H13N/c1-3-4-12(9-13)11-7-5-10(2)6-8-11/h3,5-8,12H,1,4H2,2H3 |
| InChIKey | ORIFYOLYDXRDFW-UHFFFAOYSA-N |
| Mol Weight | 171.24 g/mol |
| Molecular Formula | C12H13N |
| Exact Mass | 171.104799 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I5tHtrUfRfa |
|---|---|
| Name | 2-(4-Methylphenyl)-4-pentenenitrile |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13N |
| InChI | InChI=1S/C12H13N/c1-3-4-12(9-13)11-7-5-10(2)6-8-11/h3,5-8,12H,1,4H2,2H3 |
| InChIKey | ORIFYOLYDXRDFW-UHFFFAOYSA-N |
| Molecular Weight | 171.243 g/mol |
| SMILES | C(C(CC=C)c1ccc(cc1)C)#N |
| SPLASH | splash10-001i-0900000000-783c403095aed54a52f7 |
| Source of Spectrum | KD-13-1698-1 |
| Wiley ID | 1635483 |