| SpectraBase Spectrum ID |
IjyEL9bbdYF |
| Name |
(2R,3R)-3-Cyclohexyl-3-hydroxy-2-methyl-propionic acid methyl ester |
| 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/c1-8(11(13)14-2)10(12)9-6-4-3-5-7-9/h8-10,12H,3-7H2,1-2H3/t8-,10+/m1/s1 |
| InChIKey |
OHADOFDGPAGHOA-SCZZXKLOSA-N |
| Molecular Weight |
200.278 g/mol |
| SMILES |
[C@@](C(=O)OC)([C@@](C1CCCCC1)(O)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816502 |
