| SpectraBase Spectrum ID |
DDXD0mV1AAI |
| Name |
3-[(4R)-4-(2-Ketoethyl)-5,5-dimethyl-cyclopenten-1-yl]propionic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.156894565 u |
| Formula |
C14H22O3 |
| InChI |
InChI=1S/C14H22O3/c1-4-17-13(16)8-7-11-5-6-12(9-10-15)14(11,2)3/h5,10,12H,4,6-9H2,1-3H3/t12-/m1/s1 |
| InChIKey |
RWLGOKHXKLCEQZ-GFCCVEGCSA-N |
| Molecular Weight |
238.327 g/mol |
| SMILES |
C1(C(=CC[C@@]1(CC=O)[H])CCC(=O)OCC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990012 |
![3-[(4R)-4-(2-ketoethyl)-5,5-dimethyl-cyclopenten-1-yl]propionic acid ethyl ester](/api/spectrum/DDXD0mV1AAI/structure.png?h=300&w=458 "3-[(4R)-4-(2-ketoethyl)-5,5-dimethyl-cyclopenten-1-yl]propionic acid ethyl ester")
