| SpectraBase Compound ID | 5XIPiy6tgBb |
|---|---|
| InChI | InChI=1S/C5H8O3/c1-3-4(8-3)5(6)7-2/h3-4H,1-2H3/t3-,4+/m1/s1 |
| InChIKey | UZVPEDADFDGCGI-DMTCNVIQSA-N |
| Mol Weight | 116.12 g/mol |
| Molecular Formula | C5H8O3 |
| Exact Mass | 116.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7gVgLYyiAvl |
|---|---|
| Name | Oxiranecarboxylic acid, 3-methyl-, methyl ester, trans- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.047344115 u |
| Formula | C5H8O3 |
| InChI | InChI=1S/C5H8O3/c1-3-4(8-3)5(6)7-2/h3-4H,1-2H3/t3-,4+/m1/s1 |
| InChIKey | UZVPEDADFDGCGI-DMTCNVIQSA-N |
| Molecular Weight | 116.116 g/mol |
| SMILES | [C@]1(O[C@@]1(C)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944814 |