| SpectraBase Compound ID | K1cl4QByGJO |
|---|---|
| InChI | InChI=1S/C12H11NO3/c1-8(12(15)16)5-11(14)10-4-2-3-9(6-10)7-13/h2-4,6,8H,5H2,1H3,(H,15,16) |
| InChIKey | IREPOFMLJUAJNI-UHFFFAOYSA-N |
| Mol Weight | 217.22 g/mol |
| Molecular Formula | C12H11NO3 |
| Exact Mass | 217.073893 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 5CPa85XVgTl |
|---|---|
| Name | 2-(3-cyanobenzoylmethyl)propanoic acid |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H11NO3 |
| InChI | InChI=1S/C12H11NO3/c1-8(12(15)16)5-11(14)10-4-2-3-9(6-10)7-13/h2-4,6,8H,5H2,1H3,(H,15,16) |
| InChIKey | IREPOFMLJUAJNI-UHFFFAOYSA-N |
| Instrument Name | Bruker AM-300 |
| NMR Standard | DMSO-d5 1H |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-d6 |