| SpectraBase Spectrum ID |
3V61F7bkivE |
| Name |
1,3-Cyclobutanedicarboxylic acid, 2-hydroxy-1,2-dimethyl-, dimethyl ester, (1.alpha.,2.beta.,3.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.099773610 u |
| Formula |
C10H16O5 |
| InChI |
InChI=1S/C10H16O5/c1-9(8(12)15-4)5-6(7(11)14-3)10(9,2)13/h6,13H,5H2,1-4H3/t6-,9+,10+/m0/s1 |
| InChIKey |
ZNXKPRHWKQDLTM-WQGWLQIFSA-N |
| Molecular Weight |
216.233 g/mol |
| SMILES |
[C@@]1([C@@](O)(C)[C@@](C1)(C(=O)OC)[H])(C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958712 |
