| SpectraBase Compound ID | JP0ilPVlMCh |
|---|---|
| InChI | InChI=1S/C12H13N/c1-3-6-11(9-13)12-8-5-4-7-10(12)2/h3-5,7-8,11H,1,6H2,2H3 |
| InChIKey | NBRCBPGUEHXYEU-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 | 2rBfMUAtuD5 |
|---|---|
| Name | 2-(2-Methylphenyl)-4-pentenenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13N |
| InChI | InChI=1S/C12H13N/c1-3-6-11(9-13)12-8-5-4-7-10(12)2/h3-5,7-8,11H,1,6H2,2H3 |
| InChIKey | NBRCBPGUEHXYEU-UHFFFAOYSA-N |
| Molecular Weight | 171.243 g/mol |
| SMILES | C(C(CC=C)c1c(cccc1)C)#N |
| SPLASH | splash10-001i-0900000000-c68a12b2006543d6e709 |
| Source of Spectrum | KD-13-1698-1 |
| Wiley ID | 1635481 |