| SpectraBase Spectrum ID |
3IjUDVaKlYZ |
| Name |
(S) Ethyl 1(S) -(hydroxyethyl)-5-methylhex-4-enoate |
| 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/c1-5-14-11(13)10(9(4)12)7-6-8(2)3/h6,9-10,12H,5,7H2,1-4H3/t9-,10-/m0/s1 |
| InChIKey |
OQPWMHHIDGLYFT-UWVGGRQHSA-N |
| Molecular Weight |
200.278 g/mol |
| SMILES |
[C@@](C(=O)OCC)(CC=C(C)C)([C@@](O)(C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82658 |
