| SpectraBase Compound ID | KpjbqWY62qH |
|---|---|
| InChI | InChI=1S/C8H7NO5/c1-13-8(10)14-7-4-2-3-6(5-7)9(11)12/h2-5H,1H3 |
| InChIKey | ZYICMEKHDJABCI-UHFFFAOYSA-N |
| Mol Weight | 197.15 g/mol |
| Molecular Formula | C8H7NO5 |
| Exact Mass | 197.032422 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DBWvfTJzQoH |
|---|---|
| Name | Carbonic acid, methyl m-nitrophenyl ester |
| 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/c1-13-8(10)14-7-4-2-3-6(5-7)9(11)12/h2-5H,1H3 |
| InChIKey | ZYICMEKHDJABCI-UHFFFAOYSA-N |
| Molecular Weight | 197.146 g/mol |
| SMILES | C(OC1=CC(N(=O)=O)=CC=C1)(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96575 |