| SpectraBase Spectrum ID |
E7qbc56ICBM |
| Name |
3-Ethyl-1-methyl 1-methylcyclohexane-trans-1,3-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.136159120 u |
| Formula |
C12H20O4 |
| InChI |
InChI=1S/C12H20O4/c1-4-16-10(13)9-6-5-7-12(2,8-9)11(14)15-3/h9H,4-8H2,1-3H3/t9-,12-/m0/s1 |
| InChIKey |
PSIUIQAFUNESDE-CABZTGNLSA-N |
| Molecular Weight |
228.288 g/mol |
| SMILES |
[C@]1(C(=O)OC)(C[C@@](C(=O)OCC)(CCC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95506 |
