| SpectraBase Spectrum ID |
TPZjLP0adL |
| Name |
1,3-Cyclopentanedicarboxylic acid, 2-methyl-, dimethyl ester, (1.alpha.,2.alpha.,3.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.104858991 u |
| Formula |
C10H16O4 |
| InChI |
InChI=1S/C10H16O4/c1-6-7(9(11)13-2)4-5-8(6)10(12)14-3/h6-8H,4-5H2,1-3H3/t6-,7-,8+ |
| InChIKey |
VUTNENLJKPBEEF-WHUPJOBBSA-N |
| Molecular Weight |
200.234 g/mol |
| SMILES |
[C@@]1([C@]([C@](C(=O)OC)(CC1)[H])(C)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863269 |
