| SpectraBase Spectrum ID |
2IXU5hhUYPc |
| Name |
Cyclohexanepropanoic acid, 2-formyl-1-methyl-, methyl ester, trans-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.141244501 u |
| Formula |
C12H20O3 |
| InChI |
InChI=1S/C12H20O3/c1-12(8-6-11(14)15-2)7-4-3-5-10(12)9-13/h9-10H,3-8H2,1-2H3/t10-,12-/m0/s1 |
| InChIKey |
RLGSZERLLWMVQN-JQWIXIFHSA-N |
| Molecular Weight |
212.289 g/mol |
| SMILES |
[C@@]1(CCC(=O)OC)([C@](C=O)(CCCC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813028 |
