| SpectraBase Spectrum ID |
FfCwcBbSHRc |
| Name |
3-[(1S,5R)-1-Methyl-4,6,8-trioxabicyclo[3.2.1]octan-5-yl]propanoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.115423675 u |
| Formula |
C11H18O5 |
| InChI |
InChI=1S/C11H18O5/c1-3-13-9(12)4-5-11-14-7-6-10(2,16-11)8-15-11/h3-8H2,1-2H3/t10-,11+/m0/s1 |
| InChIKey |
IXVGULBJHASOMZ-WDEREUQCSA-N |
| Molecular Weight |
230.260 g/mol |
| SMILES |
[C@]12(O[C@](C)(CO2)CCO1)CCC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98543 |
![3-[(1S,5R)-1-methyl-4,6,8-trioxabicyclo[3.2.1]octan-5-yl]propanoic acid ethyl ester](/api/spectrum/FfCwcBbSHRc/structure.png?h=300&w=458 "3-[(1S,5R)-1-methyl-4,6,8-trioxabicyclo[3.2.1]octan-5-yl]propanoic acid ethyl ester")
