| SpectraBase Compound ID | F360vclLT6r |
|---|---|
| InChI | InChI=1S/C17H15NO5/c1-23-17(20)15(12-6-3-2-4-7-12)11-16(19)13-8-5-9-14(10-13)18(21)22/h2-10,15H,11H2,1H3 |
| InChIKey | GJTUGMHJOGGNFP-UHFFFAOYSA-N |
| Mol Weight | 313.31 g/mol |
| Molecular Formula | C17H15NO5 |
| Exact Mass | 313.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I3v1M593PYy |
|---|---|
| Name | beta-(m-Nitrobenzoyl)hydratropic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.095022582 u |
| Formula | C17H15NO5 |
| InChI | InChI=1S/C17H15NO5/c1-23-17(20)15(12-6-3-2-4-7-12)11-16(19)13-8-5-9-14(10-13)18(21)22/h2-10,15H,11H2,1H3 |
| InChIKey | GJTUGMHJOGGNFP-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1C=CC=C(C1)C(CC(C(OC)=O)C=1C=CC=CC1)=O |