| SpectraBase Spectrum ID |
5OtBk43li9C |
| Name |
1,3-Cyclopentanediacetic acid, 4,5-dimethyl-, dimethyl ester, (1.alpha.,3.alpha.,4.beta.,5.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/c1-8-9(2)11(7-13(15)17-4)5-10(8)6-12(14)16-3/h8-11H,5-7H2,1-4H3/t8-,9+,10+,11- |
| InChIKey |
RFVOLLXFFYWWOC-CKIJPRSSSA-N |
| Molecular Weight |
242.315 g/mol |
| SMILES |
[C@]1([C@@]([C@](C)([C@](C1)(CC(=O)OC)[H])[H])(C)[H])(CC(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976083 |
