| SpectraBase Compound ID | DlmXhydDOWy |
|---|---|
| InChI | InChI=1S/C6H9NO2/c1-2-5(4-7)3-6(8)9/h5H,2-3H2,1H3,(H,8,9) |
| InChIKey | QVGURAHKOZSVQR-UHFFFAOYSA-N |
| Mol Weight | 127.14 g/mol |
| Molecular Formula | C6H9NO2 |
| Exact Mass | 127.063329 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FCtiVzOpBEy |
|---|---|
| Name | 3-Cyanopentanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H9NO2 |
| InChI | InChI=1S/C6H9NO2/c1-2-5(4-7)3-6(8)9/h5H,2-3H2,1H3,(H,8,9) |
| InChIKey | QVGURAHKOZSVQR-UHFFFAOYSA-N |
| Molecular Weight | 127.143 g/mol |
| SMILES | OC(CC(C#N)CC)=O |
| SPLASH | splash10-0uxr-9000000000-c7bf43b2038fccb8d62f |
| Source of Spectrum | J-63-4799-0 |
| Wiley ID | 1130637 |