| SpectraBase Spectrum ID |
GDuxhyGWjXx |
| Name |
3-[(1S,2S)-2-Allyl-3-keto-cyclopentyl]propionic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.141244501 u |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-3-5-11-10(6-8-12(11)14)7-9-13(15)16-4-2/h3,10-11H,1,4-9H2,2H3/t10-,11-/m0/s1 |
| InChIKey |
PDYBVDPRRKPWII-QWRGUYRKSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
C1([C@]([C@](CCC(=O)OCC)(CC1)[H])(CC=C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98735 |
![3-[(1S,2S)-2-allyl-3-keto-cyclopentyl]propionic acid ethyl ester](/api/spectrum/GDuxhyGWjXx/structure.png?h=300&w=458 "3-[(1S,2S)-2-allyl-3-keto-cyclopentyl]propionic acid ethyl ester")
