| SpectraBase Compound ID | FVfNAKbhgBo |
|---|---|
| InChI | InChI=1S/C12H13NO/c1-10-5-4-6-11(9-10)12(14)7-2-3-8-13/h4-6,9H,2-3,7H2,1H3 |
| InChIKey | NHWMJSPXHUOKMY-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C12H13NO |
| Exact Mass | 187.099714 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AtKBtd9f59g |
|---|---|
| Name | 5-Oxo-5-(m-tolyl)pentanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13NO |
| InChI | InChI=1S/C12H13NO/c1-10-5-4-6-11(9-10)12(14)7-2-3-8-13/h4-6,9H,2-3,7H2,1H3 |
| InChIKey | NHWMJSPXHUOKMY-UHFFFAOYSA-N |
| Molecular Weight | 187.242 g/mol |
| SMILES | c1c(cccc1C)C(=O)CCCC#N |
| SPLASH | splash10-014i-0900000000-b5c69a5de97d8851bc34 |
| Source of Spectrum | ACI-51-SM10-1h |
| Wiley ID | 1780623 |