| SpectraBase Compound ID | 3AAgPJa6QAC |
|---|---|
| InChI | InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) |
| InChIKey | QIAFMBKCNZACKA-UHFFFAOYSA-N |
| Mol Weight | 179.17 g/mol |
| Molecular Formula | C9H9NO3 |
| Exact Mass | 179.058243 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5bJ9KdSdgM |
|---|---|
| Name | Hippuric acid |
| Comments | MONAID: JP003528 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9NO3 |
| InChI | InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) |
| InChIKey | QIAFMBKCNZACKA-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 179.175 g/mol |
| SMILES | OC(CNC(=O)c1ccccc1)=O |
| SPLASH | splash10-0a6r-6900000000-2e1cf77517be156320c6 |
| Source of Spectrum | SRH-2022-3528-0 |
| Wiley ID | 1825808 |