| SpectraBase Compound ID | AI0A90JvDt8 |
|---|---|
| InChI | InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h3H,2H2,1H3 |
| InChIKey | DFATXMYLKPCSCX-UHFFFAOYSA-N |
| Mol Weight | 114.1 g/mol |
| Molecular Formula | C5H6O3 |
| Exact Mass | 114.031694 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HJ8d2knk1ol |
|---|---|
| Name | Methylsuccinic anhydride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.031694050 u |
| Formula | C5H6O3 |
| InChI | InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h3H,2H2,1H3 |
| InChIKey | DFATXMYLKPCSCX-UHFFFAOYSA-N |
| SMILES | C1C(OC(C1C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.984612 |