| SpectraBase Spectrum ID |
F28hA9QMgH1 |
| Name |
3-Hexenoic acid, 4-ethyl-2-methyl-, ethyl ester, (S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
184.146329882 u |
| Formula |
C11H20O2 |
| InChI |
InChI=1S/C11H20O2/c1-5-10(6-2)8-9(4)11(12)13-7-3/h8-9H,5-7H2,1-4H3/t9-/m0/s1 |
| InChIKey |
JDKPNGSCDVKFKY-VIFPVBQESA-N |
| Molecular Weight |
184.279 g/mol |
| SMILES |
C([C@@](C(=O)OCC)(C)[H])=C(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959047 |
