| SpectraBase Spectrum ID |
8Uk6dl0iwye |
| Name |
2-Pentenoic acid, 5-(acetyloxy)-3-methyl-, 1,1-dimethylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.136159120 u |
| Formula |
C12H20O4 |
| InChI |
InChI=1S/C12H20O4/c1-9(6-7-15-10(2)13)8-11(14)16-12(3,4)5/h8H,6-7H2,1-5H3/b9-8+ |
| InChIKey |
SAUNBBMSZWUXRI-CMDGGOBGSA-N |
| Molecular Weight |
228.288 g/mol |
| SMILES |
CC(OCC\C(=C\C(OC(C)(C)C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974234 |
