| SpectraBase Compound ID | B4fXQTLGrZj |
|---|---|
| InChI | InChI=1S/C9H9NO4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3 |
| InChIKey | QNXQLPUEZYZYFC-UHFFFAOYSA-N |
| Mol Weight | 195.17 g/mol |
| Molecular Formula | C9H9NO4 |
| Exact Mass | 195.053158 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | COYGOuwI6d4 |
|---|---|
| Name | p-Nitrobenzyl alcohol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.053157770 u |
| Formula | C9H9NO4 |
| InChI | InChI=1S/C9H9NO4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3 |
| InChIKey | QNXQLPUEZYZYFC-UHFFFAOYSA-N |
| Molecular Weight | 195.174 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C=C1)COC(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.943633 |