| SpectraBase Compound ID | Ea3x17cEEqy |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-2-3-8-15-12(14)11-7-5-4-6-10(11)9-13/h4-7H,2-3,8H2,1H3 |
| InChIKey | VZOMVSGTGYTJQQ-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G1uCXR4jda3 |
|---|---|
| Name | Butyl 2-cyanobenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c1-2-3-8-15-12(14)11-7-5-4-6-10(11)9-13/h4-7H,2-3,8H2,1H3 |
| InChIKey | VZOMVSGTGYTJQQ-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/ol5026519 |
| Molecular Weight | 203.241 g/mol |
| SMILES | c1cc(C#N)c(C(=O)OCCCC)cc1 |
| SPLASH | splash10-001i-0900000000-b539e358f1e9bbf7656e |
| Source of Spectrum | A1-16-5220/SMS4-2e |
| Wiley ID | 1751394 |