| SpectraBase Compound ID | 7F7gj4LyYB |
|---|---|
| InChI | InChI=1S/C5H7NO2/c6-4-2-1-3-5(7)8/h1-3H2,(H,7,8) |
| InChIKey | YXBVMSQDRLXPQV-UHFFFAOYSA-N |
| Mol Weight | 113.12 g/mol |
| Molecular Formula | C5H7NO2 |
| Exact Mass | 113.047678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6CpIboiyPmP |
|---|---|
| Name | 4-Cyanobutanoic acid |
| Alternate Name(s) | 4-cyanobutyric acid |
| CAS Registry Number | 39201-33-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H7NO2 |
| InChI | InChI=1S/C5H7NO2/c6-4-2-1-3-5(7)8/h1-3H2,(H,7,8) |
| InChIKey | YXBVMSQDRLXPQV-UHFFFAOYSA-N |
| Molecular Weight | 113.116 g/mol |
| SMILES | OC(CCCC#N)=O |
| SPLASH | splash10-0006-9000000000-f692ab4ec8b6819f7074 |
| Source of Spectrum | F-49-8468-3 |
| Wiley ID | 788324 |