| SpectraBase Spectrum ID |
Ca69pW9zH1a |
| Name |
1,2-Cyclopentanedicarboxylic acid, 4-(1,1-dimethylethoxy)-, dimethyl ester, (1.alpha.,2.alpha.,4.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.146723803 u |
| Formula |
C13H22O5 |
| InChI |
InChI=1S/C13H22O5/c1-13(2,3)18-8-6-9(11(14)16-4)10(7-8)12(15)17-5/h8-10H,6-7H2,1-5H3/t8-,9+,10- |
| InChIKey |
NMBVNCRHJSVBQK-ILWJIGKKSA-N |
| Molecular Weight |
258.314 g/mol |
| SMILES |
[C@@]1([C@](C(=O)OC)(C[C@](C1)(OC(C)(C)C)[H])[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971912 |
