| SpectraBase Compound ID | AVebBUotvcC |
|---|---|
| InChI | InChI=1S/C9H9NO4/c1-7(11)6-14-9-4-2-3-8(5-9)10(12)13/h2-5H,6H2,1H3 |
| InChIKey | DTQBLCRAUDNUEP-UHFFFAOYSA-N |
| Mol Weight | 195.17 g/mol |
| Molecular Formula | C9H9NO4 |
| Exact Mass | 195.053158 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GMfYVJsKbBK |
|---|---|
| Name | 1-(m-Nitrophenoxy)-2-propanone |
| 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)6-14-9-4-2-3-8(5-9)10(12)13/h2-5H,6H2,1H3 |
| InChIKey | DTQBLCRAUDNUEP-UHFFFAOYSA-N |
| Molecular Weight | 195.174 g/mol |
| SMILES | N(=O)(=O)C=1C=CC=C(C1)OCC(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.82748 |