| SpectraBase Spectrum ID |
8Yu0f4gTJyU |
| Name |
3-Cyclohexyl-2-methyl-3-oxopropanoic acid ethyl ester |
| 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/c1-3-15-12(14)9(2)11(13)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3 |
| InChIKey |
BLNDDOYRZJTDDW-UHFFFAOYSA-N |
| Molecular Weight |
212.289 g/mol |
| SMILES |
C(C(=O)C1CCCCC1)(C(=O)OCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956872 |
