| SpectraBase Spectrum ID |
At3JYij3739 |
| Name |
Spiro[3.3]heptane-2,2-dicarboxylic acid, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.104858991 u |
| Formula |
C11H16O4 |
| InChI |
InChI=1S/C11H16O4/c1-14-8(12)11(9(13)15-2)6-10(7-11)4-3-5-10/h3-7H2,1-2H3 |
| InChIKey |
RSFSAPVWXCIHAH-UHFFFAOYSA-N |
| Molecular Weight |
212.245 g/mol |
| SMILES |
C(OC)(=O)C1(CC2(C1)CCC2)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826861 |
![Spiro[3.3]heptane-2,2-dicarboxylic acid, dimethyl ester](/api/spectrum/At3JYij3739/structure.png?h=300&w=458 "Spiro[3.3]heptane-2,2-dicarboxylic acid, dimethyl ester")
