| SpectraBase Spectrum ID |
2BYeHL1pQrG |
| Name |
Cyclohexanecarboxylic acid, 2-hydroxy-6-methyl-, ethyl ester, [1R-(1.alpha.,2.alpha.,6.beta.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.125594437 u |
| Formula |
C10H18O3 |
| InChI |
InChI=1S/C10H18O3/c1-3-13-10(12)9-7(2)5-4-6-8(9)11/h7-9,11H,3-6H2,1-2H3/t7-,8-,9+/m0/s1 |
| InChIKey |
MCDNIGYEPWINQO-XHNCKOQMSA-N |
| Molecular Weight |
186.251 g/mol |
| SMILES |
[C@@]1(C(=O)OCC)([C@@](O)(CCC[C@@]1(C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930188 |
![Cyclohexanecarboxylic acid, 2-hydroxy-6-methyl-, ethyl ester, [1R-(1.alpha.,2.alpha.,6.beta.)]-](/api/spectrum/2BYeHL1pQrG/structure.png?h=300&w=458 "Cyclohexanecarboxylic acid, 2-hydroxy-6-methyl-, ethyl ester, [1R-(1.alpha.,2.alpha.,6.beta.)]-")
