| SpectraBase Compound ID | Knu7vLBNKFG |
|---|---|
| InChI | InChI=1S/C16H17NO4/c18-17(19)16-8-6-15(7-9-16)13-21-11-10-20-12-14-4-2-1-3-5-14/h1-9H,10-13H2 |
| InChIKey | SNXODACUKVDBGF-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 | FpdqUliOHR2 |
|---|---|
| Name | o-(4-Nitrobenzyl)-2-benzyloxyethanol |
| 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/c18-17(19)16-8-6-15(7-9-16)13-21-11-10-20-12-14-4-2-1-3-5-14/h1-9H,10-13H2 |
| InChIKey | SNXODACUKVDBGF-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC=C(C=C1)COCCOCC1=CC=CC=C1 |