| SpectraBase Spectrum ID |
EMq9p9G5JvA |
| Name |
1,2-Cyclopentanedicarboxylic acid, 4-(1,1-dimethylethyl)-, 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 |
242.151809184 u |
| Formula |
C13H22O4 |
| InChI |
InChI=1S/C13H22O4/c1-13(2,3)8-6-9(11(14)16-4)10(7-8)12(15)17-5/h8-10H,6-7H2,1-5H3 |
| InChIKey |
ATXYRULYGUXKCA-UHFFFAOYSA-N |
| Molecular Weight |
242.315 g/mol |
| SMILES |
C(OC)(=O)C1C(C(OC)=O)CC(C1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937688 |
