| SpectraBase Compound ID | Ht6SznV6qvB |
|---|---|
| InChI | InChI=1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9+ |
| InChIKey | QELCXXZZKSRBET-PKNBQFBNSA-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 | FFryc2fBCC5 |
|---|---|
| Name | (E)-3-Methyl-5-phenylpent-2-enenitrile |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13N |
| InChI | InChI=1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9+ |
| InChIKey | QELCXXZZKSRBET-PKNBQFBNSA-N |
| Molecular Weight | 171.243 g/mol |
| SMILES | c1(ccccc1)CC\C(=C\C#N)C |
| SPLASH | splash10-0006-9100000000-c306b344715efabb1e21 |
| Source of Spectrum | ACI-53-SM27-3q |
| Wiley ID | 1782472 |