| SpectraBase Compound ID | 8xaCKdriKnS |
|---|---|
| InChI | InChI=1S/C13H13NO3/c1-2-9-17-13(16)11-6-4-3-5-10(11)12(15)7-8-14/h3-6H,2,7,9H2,1H3 |
| InChIKey | GUMQFEMDNCMUGF-UHFFFAOYSA-N |
| Mol Weight | 231.25 g/mol |
| Molecular Formula | C13H13NO3 |
| Exact Mass | 231.089543 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DMiEuXVEp7D |
|---|---|
| Name | Propyl 2-cyanoacetylbenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H13NO3 |
| InChI | InChI=1S/C13H13NO3/c1-2-9-17-13(16)11-6-4-3-5-10(11)12(15)7-8-14/h3-6H,2,7,9H2,1H3 |
| InChIKey | GUMQFEMDNCMUGF-UHFFFAOYSA-N |
| Molecular Weight | 231.251 g/mol |
| SMILES | c1(c(C(=O)CC#N)cccc1)C(=O)OCCC |
| SPLASH | splash10-0096-4900000000-308ede8a8eccf37edde9 |
| Source of Spectrum | F-53-6111-29 |
| Wiley ID | 801944 |