| SpectraBase Spectrum ID |
EnyVwkFPaBP |
| Name |
Pentanoic acid, 3,4-dimethyl-, 3-ethyl-4-methylpentyl ester, [S-(R*,R*)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.224580204 u |
| Formula |
C15H30O2 |
| InChI |
InChI=1S/C15H30O2/c1-7-14(12(4)5)10-15(16)17-9-8-13(6)11(2)3/h11-14H,7-10H2,1-6H3/t13-,14?/m0/s1 |
| InChIKey |
XHNJPFPCBSTBDG-LSLKUGRBSA-N |
| Molecular Weight |
242.403 g/mol |
| SMILES |
C(CC(C(C)C)CC)(=O)OCC[C@@](C(C)C)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97832 |
![Pentanoic acid, 3,4-dimethyl-, 3-ethyl-4-methylpentyl ester, [S-(R*,R*)]-](/api/spectrum/EnyVwkFPaBP/structure.png?h=300&w=458 "Pentanoic acid, 3,4-dimethyl-, 3-ethyl-4-methylpentyl ester, [S-(R*,R*)]-")
