| SpectraBase Spectrum ID |
3ycnGNHZpUr |
| Name |
Cyclohexanecarboxylic acid, 2-hydroxy-1,6-dimethyl-, methyl ester, [1S-(1.alpha.,2.beta.,6.alpha.)]- |
| 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/c1-7-5-4-6-8(11)10(7,2)9(12)13-3/h7-8,11H,4-6H2,1-3H3/t7-,8-,10-/m0/s1 |
| InChIKey |
PGTLDRGEZFLQIX-NRPADANISA-N |
| Molecular Weight |
186.251 g/mol |
| SMILES |
[C@]1(C(=O)OC)([C@@](O)(CCC[C@@]1(C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976601 |
![Cyclohexanecarboxylic acid, 2-hydroxy-1,6-dimethyl-, methyl ester, [1S-(1.alpha.,2.beta.,6.alpha.)]-](/api/spectrum/3ycnGNHZpUr/structure.png?h=300&w=458 "Cyclohexanecarboxylic acid, 2-hydroxy-1,6-dimethyl-, methyl ester, [1S-(1.alpha.,2.beta.,6.alpha.)]-")
