| SpectraBase Spectrum ID |
EAJcaO0LQnQ |
| Name |
(2R)-2-[(1R)-1-Hydroxyethyl]-5-methyl-4-hexenoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.125594437 u |
| Formula |
C10H18O3 |
| InChI |
InChI=1S/C10H18O3/c1-7(2)5-6-9(8(3)11)10(12)13-4/h5,8-9,11H,6H2,1-4H3/t8-,9-/m1/s1 |
| InChIKey |
ZCLKXRBXJPGGLD-RKDXNWHRSA-N |
| Molecular Weight |
186.251 g/mol |
| SMILES |
[C@](C(=O)OC)(CC=C(C)C)([C@](O)(C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864103 |
![(2R)-2-[(1R)-1-hydroxyethyl]-5-methyl-4-hexenoic acid methyl ester](/api/spectrum/EAJcaO0LQnQ/structure.png?h=300&w=458 "(2R)-2-[(1R)-1-hydroxyethyl]-5-methyl-4-hexenoic acid methyl ester")
