| SpectraBase Spectrum ID |
9NXmP9I4FBU |
| Name |
2-(2-Methoxy-1,2-dioxoethyl)benzoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.052823417 u |
| Formula |
C11H10O5 |
| InChI |
InChI=1S/C11H10O5/c1-15-10(13)8-6-4-3-5-7(8)9(12)11(14)16-2/h3-6H,1-2H3 |
| InChIKey |
CHSOAXWXDPIKDV-UHFFFAOYSA-N |
| Molecular Weight |
222.196 g/mol |
| SMILES |
C(C=1C(C(=O)OC)=CC=CC1)(C(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897316 |
