| SpectraBase Compound ID | GvMUdHOzCVc |
|---|---|
| InChI | InChI=1S/C17H17NO5/c1-23-15-10-11(7-8-14(15)19)9-13(17(21)22)18-16(20)12-5-3-2-4-6-12/h2-8,10,13,19H,9H2,1H3,(H,18,20)(H,21,22) |
| InChIKey | ODTCNJWUFHCFJB-UHFFFAOYSA-N |
| Mol Weight | 315.33 g/mol |
| Molecular Formula | C17H17NO5 |
| Exact Mass | 315.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4cTgZ7CI4GB |
|---|---|
| Name | 2-Benzamido-3-(3-methoxy-4-oxidanyl-phenyl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.110672646 u |
| Formula | C17H17NO5 |
| InChI | InChI=1S/C17H17NO5/c1-23-15-10-11(7-8-14(15)19)9-13(17(21)22)18-16(20)12-5-3-2-4-6-12/h2-8,10,13,19H,9H2,1H3,(H,18,20)(H,21,22) |
| InChIKey | ODTCNJWUFHCFJB-UHFFFAOYSA-N |
| Molecular Weight | 315.325 g/mol |
| SMILES | C(C(CC=1C=C(C(=CC1)O)OC)NC(C=1C=CC=CC1)=O)(=O)O |