| SpectraBase Spectrum ID |
8CHQp1L757Q |
| Name |
Ethyl 3-methoxy-4-[(methoxycarbonyl)ethyl]-4,5-dihydrocyclopenten-1-one-5-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.094688229 u |
| Formula |
C12H16O6 |
| InChI |
InChI=1S/C12H16O6/c1-4-18-12(15)11-7(5-10(14)17-3)9(16-2)6-8(11)13/h6-7,11H,4-5H2,1-3H3/t7-,11+/m0/s1 |
| InChIKey |
IFKVIWDIUBUWEA-WRWORJQWSA-N |
| Molecular Weight |
256.254 g/mol |
| SMILES |
[C@]1(C(C=C([C@@]1(CC(=O)OC)[H])OC)=O)(C(=O)OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953677 |
![Ethyl 3-methoxy-4-[(methoxycarbonyl)ethyl]-4,5-dihydrocyclopenten-1-one-5-carboxylate](/api/spectrum/8CHQp1L757Q/structure.png?h=300&w=458 "Ethyl 3-methoxy-4-[(methoxycarbonyl)ethyl]-4,5-dihydrocyclopenten-1-one-5-carboxylate")
