| SpectraBase Spectrum ID |
DIdYaNVmXTk |
| Name |
Pentanoic acid, 3,4-dimethyl-5-oxo-, methyl ester, [S-(R*,R*)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
158.094294308 u |
| Formula |
C8H14O3 |
| InChI |
InChI=1S/C8H14O3/c1-6(7(2)5-9)4-8(10)11-3/h5-7H,4H2,1-3H3/t6-,7+/m0/s1 |
| InChIKey |
RFRRHUQWYBMCHT-NKWVEPMBSA-N |
| Molecular Weight |
158.197 g/mol |
| SMILES |
C(C[C@@]([C@@](C=O)(C)[H])(C)[H])(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945712 |
![Pentanoic acid, 3,4-dimethyl-5-oxo-, methyl ester, [S-(R*,R*)]-](/api/spectrum/DIdYaNVmXTk/structure.png?h=300&w=458 "Pentanoic acid, 3,4-dimethyl-5-oxo-, methyl ester, [S-(R*,R*)]-")
