| SpectraBase Spectrum ID |
4SetbqAY3Iz |
| Name |
1,2-Cyclopentanedicarboxylic acid, 4-(acetyloxy)-, dimethyl ester, (1.alpha.,2.alpha.,4.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.094688229 u |
| Formula |
C11H16O6 |
| InChI |
InChI=1S/C11H16O6/c1-6(12)17-7-4-8(10(13)15-2)9(5-7)11(14)16-3/h7-9H,4-5H2,1-3H3/t7-,8-,9+ |
| InChIKey |
HDBHXNASIKKYLO-PSVAKVPMSA-N |
| Molecular Weight |
244.243 g/mol |
| SMILES |
[C@@]1([C@](C(=O)OC)(C[C@](C1)(OC(=O)C)[H])[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808742 |
