| SpectraBase Spectrum ID |
BknrWT2lfN |
| Name |
1-Cyclohexene-1,5-dicarboxylic acid, 3-[(hydroxycarbonyl)methyl]-,dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.094688229 u |
| Formula |
C12H16O6 |
| InChI |
InChI=1S/C12H16O6/c1-17-11(15)8-3-7(5-10(13)14)4-9(6-8)12(16)18-2/h3,7,9H,4-6H2,1-2H3,(H,13,14) |
| InChIKey |
YGKBQYGONJSPOG-UHFFFAOYSA-N |
| Molecular Weight |
256.254 g/mol |
| SMILES |
C(OC)(C1CC(=CC(C1)CC(=O)O)C(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929087 |
![1-Cyclohexene-1,5-dicarboxylic acid, 3-[(hydroxycarbonyl)methyl]-,dimethyl ester](/api/spectrum/BknrWT2lfN/structure.png?h=300&w=458 "1-Cyclohexene-1,5-dicarboxylic acid, 3-[(hydroxycarbonyl)methyl]-,dimethyl ester")
