| SpectraBase Spectrum ID |
Jd87IjwC71U |
| Name |
Dimethyl(1R*,2S*,5R*)-5-methyl-cyclohexane-1,2-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.120509056 u |
| Formula |
C11H18O4 |
| InChI |
InChI=1S/C11H18O4/c1-7-4-5-8(10(12)14-2)9(6-7)11(13)15-3/h7-9H,4-6H2,1-3H3/t7-,8+,9-/m1/s1 |
| InChIKey |
GADRQTDSMCWRTB-HRDYMLBCSA-N |
| Molecular Weight |
214.261 g/mol |
| SMILES |
[C@]1([C@@](C(=O)OC)(CC[C@](C1)(C)[H])[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829765 |
