| SpectraBase Spectrum ID |
JejAANUr2MA |
| Name |
2,2-Diethyl-3-keto-cyclopentanecarboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.125594437 u |
| Formula |
C11H18O3 |
| InChI |
InChI=1S/C11H18O3/c1-4-11(5-2)8(10(13)14-3)6-7-9(11)12/h8H,4-7H2,1-3H3/t8-/m1/s1 |
| InChIKey |
UMXQGWUHCIGZII-MRVPVSSYSA-N |
| Molecular Weight |
198.262 g/mol |
| SMILES |
C1([C@@](C(=O)OC)(CCC1=O)[H])(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935546 |
