| SpectraBase Compound ID | ANuaJoPuqKT |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-6(4-8(10)11-3)5-12-7(2)9/h4H,5H2,1-3H3/b6-4+ |
| InChIKey | IWSSYQRZTKDYFQ-GQCTYLIASA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C8H12O4 |
| Exact Mass | 172.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HFr1HpJ3jzR |
|---|---|
| Name | 4-Acetoxy-3-methylbut-2-enoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.073558862 u |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c1-6(4-8(10)11-3)5-12-7(2)9/h4H,5H2,1-3H3/b6-4+ |
| InChIKey | IWSSYQRZTKDYFQ-GQCTYLIASA-N |
| Molecular Weight | 172.180 g/mol |
| SMILES | C\C(COC(C)=O)=C/C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976686 |