| SpectraBase Spectrum ID |
2haktj9u9Ex |
| Name |
Methyl 2-methoxy-1-methyl-bicyclo[4.1.0]heptane-7-carboxylate isomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.125594437 u |
| Formula |
C11H18O3 |
| InChI |
InChI=1S/C11H18O3/c1-11-7(9(11)10(12)14-3)5-4-6-8(11)13-2/h7-9H,4-6H2,1-3H3 |
| InChIKey |
AXTGGIJHSFZBHY-UHFFFAOYSA-N |
| Molecular Weight |
198.262 g/mol |
| SMILES |
C12(C(C(=O)OC)C2CCCC1OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931186 |
![Methyl 2-methoxy-1-methyl-bicyclo[4.1.0]heptane-7-carboxylate isomer](/api/spectrum/2haktj9u9Ex/structure.png?h=300&w=458 "Methyl 2-methoxy-1-methyl-bicyclo[4.1.0]heptane-7-carboxylate isomer")
