| SpectraBase Compound ID | 26qlWDaYE08 |
|---|---|
| InChI | InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3 |
| InChIKey | HRMRLUUZPLAPAS-UHFFFAOYSA-N |
| Mol Weight | 181.15 g/mol |
| Molecular Formula | C8H7NO4 |
| Exact Mass | 181.037508 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AhHEgjFNk6o |
|---|---|
| Name | Meta-nitrophenylacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.037507705 u |
| Formula | C8H7NO4 |
| InChI | InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3 |
| InChIKey | HRMRLUUZPLAPAS-UHFFFAOYSA-N |
| Molecular Weight | 181.147 g/mol |
| SMILES | C(=O)(C)OC1=CC(=CC=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968513 |