| SpectraBase Compound ID | 2mYc9Pex45o |
|---|---|
| InChI | InChI=1S/C7H8O5/c1-4(8)11-7-5(10-2)3-6(9)12-7/h3,7H,1-2H3 |
| InChIKey | CDQJWCMNWORFKU-UHFFFAOYSA-N |
| Mol Weight | 172.14 g/mol |
| Molecular Formula | C7H8O5 |
| Exact Mass | 172.037173 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DoC61xkJDsH |
|---|---|
| Name | 2(5H)-Furanone, 5-(acetyloxy)-4-methoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.037173353 u |
| Formula | C7H8O5 |
| InChI | InChI=1S/C7H8O5/c1-4(8)11-7-5(10-2)3-6(9)12-7/h3,7H,1-2H3 |
| InChIKey | CDQJWCMNWORFKU-UHFFFAOYSA-N |
| Molecular Weight | 172.136 g/mol |
| SMILES | C=1C(OC(C1OC)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97452 |