| SpectraBase Spectrum ID |
IeBfzxg3udR |
| Name |
Methyl endo,exo-7-methoxy-7-methylbicyclo[3.1.1]heptane-6-carboxylate |
| 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(14-3)7-5-4-6-8(11)9(7)10(12)13-2/h7-9H,4-6H2,1-3H3/t7-,8+,9+,11? |
| InChIKey |
RWVHSTGCLMTXRL-LGKJYVGASA-N |
| Molecular Weight |
198.262 g/mol |
| SMILES |
[C@@]12(CCC[C@@]([C@]2(C(=O)OC)[H])(C1(C)OC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944004 |
![Methyl endo,exo-7-methoxy-7-methylbicyclo[3.1.1]heptane-6-carboxylate](/api/spectrum/IeBfzxg3udR/structure.png?h=300&w=458 "Methyl endo,exo-7-methoxy-7-methylbicyclo[3.1.1]heptane-6-carboxylate")
