| SpectraBase Compound ID | 9TR6Phu3JdU |
|---|---|
| InChI | InChI=1S/C8H7NO5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11) |
| InChIKey | AVDLFIONKHGQAP-UHFFFAOYSA-N |
| Mol Weight | 197.15 g/mol |
| Molecular Formula | C8H7NO5 |
| Exact Mass | 197.032422 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ERznUPdEnrw |
|---|---|
| Name | (p-Nitrophenoxy)acetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.032422324 u |
| Formula | C8H7NO5 |
| InChI | InChI=1S/C8H7NO5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11) |
| InChIKey | AVDLFIONKHGQAP-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1C=CC(OCC(O)=O)=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.937509 |