| SpectraBase Compound ID | 4Lq9sAPXTVt |
|---|---|
| InChI | InChI=1S/C16H17NO4/c18-14(11-21-15-7-2-1-3-8-15)10-17-13-6-4-5-12(9-13)16(19)20/h1-9,14,17-18H,10-11H2,(H,19,20) |
| InChIKey | ILXYRPCTTMZMSL-UHFFFAOYSA-N |
| Mol Weight | 287.31 g/mol |
| Molecular Formula | C16H17NO4 |
| Exact Mass | 287.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JmUaKJpQXWS |
|---|---|
| Name | Benzoic acid, 3-(2-hydroxy-3-phenoxypropylamino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.115758027 u |
| Formula | C16H17NO4 |
| InChI | InChI=1S/C16H17NO4/c18-14(11-21-15-7-2-1-3-8-15)10-17-13-6-4-5-12(9-13)16(19)20/h1-9,14,17-18H,10-11H2,(H,19,20) |
| InChIKey | ILXYRPCTTMZMSL-UHFFFAOYSA-N |
| SMILES | C(CNC1=CC(C(O)=O)=CC=C1)(COC1=CC=CC=C1)O |