| SpectraBase Spectrum ID |
4PdmCkgEn7n |
| Name |
(1R,3S,4S,5R)-3,5-Dihydroxy-4-ethyl-1-(methoxycarbonyl)cyclohexane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.120509056 u |
| Formula |
C10H18O4 |
| InChI |
InChI=1S/C10H18O4/c1-3-7-8(11)4-6(5-9(7)12)10(13)14-2/h6-9,11-12H,3-5H2,1-2H3/t6-,7+,8+,9?/m1/s1 |
| InChIKey |
GVYRVZVTGFQTGV-ROVKLQMOSA-N |
| Molecular Weight |
202.250 g/mol |
| SMILES |
[C@]1(C(=O)OC)(CC(O)[C@@]([C@](C1)(O)[H])(CC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893921 |
