| SpectraBase Spectrum ID |
ATK7Lf5eDNd |
| Name |
Anti-(2R,3R)-3-hydroxy-2-methylvaleric acid 4-oxopentyl thioester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.113315675 u |
| Formula |
C11H20O3S |
| InChI |
InChI=1S/C11H20O3S/c1-4-10(13)9(3)11(14)15-7-5-6-8(2)12/h9-10,13H,4-7H2,1-3H3/t9-,10-/m1/s1 |
| InChIKey |
MZIFQNPZCAASGK-NXEZZACHSA-N |
| Molecular Weight |
232.338 g/mol |
| SMILES |
C([C@]([C@](C(=O)SCCCC(C)=O)(C)[H])(O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939849 |
