| SpectraBase Compound ID | 312kqMXQ2gm |
|---|---|
| InChI | InChI=1S/C6H7NO2/c1-5(4-7)2-3-6(8)9/h1-3H2,(H,8,9) |
| InChIKey | DJICJZYVIVAFRT-UHFFFAOYSA-N |
| Mol Weight | 125.13 g/mol |
| Molecular Formula | C6H7NO2 |
| Exact Mass | 125.047678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IdGKAMexnZY |
|---|---|
| Name | 4-Cyano-4-pentenoic acid |
| Alternate Name(s) | 4-cyanopent-4-enoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H7NO2 |
| InChI | InChI=1S/C6H7NO2/c1-5(4-7)2-3-6(8)9/h1-3H2,(H,8,9) |
| InChIKey | DJICJZYVIVAFRT-UHFFFAOYSA-N |
| Molecular Weight | 125.127 g/mol |
| SMILES | OC(CCC(C#N)=C)=O |
| SPLASH | splash10-004i-9300000000-2bae221938804f5b8ccc |
| Source of Spectrum | J-63-4799-0 |
| Wiley ID | 1129328 |