| SpectraBase Spectrum ID |
AsYTIP0exSY |
| Name |
Dimethyl 6,6-dimethyl-2,5-methanocyclohex-3-ene-1,1-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.120509056 u |
| Formula |
C13H18O4 |
| InChI |
InChI=1S/C13H18O4/c1-12(2)8-5-6-9(7-8)13(12,10(14)16-3)11(15)17-4/h5-6,8-9H,7H2,1-4H3 |
| InChIKey |
WITGENNYOBOGCY-UHFFFAOYSA-N |
| Molecular Weight |
238.283 g/mol |
| SMILES |
C1(C(C2CC1C=C2)(C)C)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919143 |
