| SpectraBase Compound ID | 1mOJDdgOL8G |
|---|---|
| InChI | InChI=1S/C10H10O4/c1-12-10(11)7-3-2-4-8-9(7)14-6-5-13-8/h2-4H,5-6H2,1H3 |
| InChIKey | ZPKXULSJPDNOJY-UHFFFAOYSA-N |
| Mol Weight | 194.19 g/mol |
| Molecular Formula | C10H10O4 |
| Exact Mass | 194.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1HShanDygCJ |
|---|---|
| Name | 1,4-Benzodioxan-5-carboxylic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.057908798 u |
| Formula | C10H10O4 |
| InChI | InChI=1S/C10H10O4/c1-12-10(11)7-3-2-4-8-9(7)14-6-5-13-8/h2-4H,5-6H2,1H3 |
| InChIKey | ZPKXULSJPDNOJY-UHFFFAOYSA-N |
| Molecular Weight | 194.186 g/mol |
| SMILES | C1OC=2C(OC1)=CC=CC2C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97171 |