| SpectraBase Compound ID | KAZNbxSg6WJ |
|---|---|
| InChI | InChI=1S/C10H8O4/c1-6-9(10(11)12)14-8-5-3-2-4-7(8)13-6/h2-5H,1H3,(H,11,12) |
| InChIKey | XGWWPNZMHWZURE-UHFFFAOYSA-N |
| Mol Weight | 192.17 g/mol |
| Molecular Formula | C10H8O4 |
| Exact Mass | 192.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3N6ktmPgRCh |
|---|---|
| Name | 3-Methyl-1,4-benzodioxin-2-carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.042258734 u |
| Formula | C10H8O4 |
| InChI | InChI=1S/C10H8O4/c1-6-9(10(11)12)14-8-5-3-2-4-7(8)13-6/h2-5H,1H3,(H,11,12) |
| InChIKey | XGWWPNZMHWZURE-UHFFFAOYSA-N |
| Molecular Weight | 192.170 g/mol |
| SMILES | C=1(OC2=CC=CC=C2OC1C)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876362 |