| SpectraBase Spectrum ID |
IpYoHdBvCpp |
| Name |
(1.alpha.,2.alpha.,3.beta.)-Dimethyl 1,3-dimethyl-4-cyclohexene-1,2-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.120509056 u |
| Formula |
C12H18O4 |
| InChI |
InChI=1S/C12H18O4/c1-8-6-5-7-12(2,11(14)16-4)9(8)10(13)15-3/h5-6,8-9H,7H2,1-4H3 |
| InChIKey |
LINIKUOKCDWJJD-UHFFFAOYSA-N |
| Molecular Weight |
226.272 g/mol |
| SMILES |
C=1CC(C(C(C1)C)C(OC)=O)(C)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912712 |
