| SpectraBase Spectrum ID |
5zvDyR0Xh5I |
| Name |
Methyl-2-(2'-methoxypropyl)-3-oxocyclopentane-acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.136159120 u |
| Formula |
C12H20O4 |
| InChI |
InChI=1S/C12H20O4/c1-8(15-2)6-10-9(4-5-11(10)13)7-12(14)16-3/h8-10H,4-7H2,1-3H3 |
| InChIKey |
DQMHOUTXXIPPSA-UHFFFAOYSA-N |
| Molecular Weight |
228.288 g/mol |
| SMILES |
C1(C(CC(=O)OC)CCC1=O)CC(OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971476 |
