| SpectraBase Spectrum ID |
7sdymV8veDT |
| Name |
Valeric acid, 2,3-epoxy-3,4-dimethyl-, tert-butyl ester, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.141244501 u |
| Formula |
C11H20O3 |
| InChI |
InChI=1S/C11H20O3/c1-7(2)11(6)8(13-11)9(12)14-10(3,4)5/h7-8H,1-6H3 |
| InChIKey |
KSKZYNABJBMBBP-UHFFFAOYSA-N |
| Molecular Weight |
200.278 g/mol |
| SMILES |
C(OC(C)(C)C)(=O)C1C(C(C)C)(C)O1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932301 |