| SpectraBase Spectrum ID |
3HUp1LiLMQ8 |
| Name |
6,8-Dioxabicyclo[3.2.1]octane-5-acetic acid, 1-methyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.104858991 u |
| Formula |
C10H16O4 |
| InChI |
InChI=1S/C10H16O4/c1-9-4-3-5-10(14-9,13-7-9)6-8(11)12-2/h3-7H2,1-2H3 |
| InChIKey |
YQUGFYMFJHJWEP-UHFFFAOYSA-N |
| Molecular Weight |
200.234 g/mol |
| SMILES |
C12(OC(C)(CO2)CCC1)CC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858065 |
![6,8-Dioxabicyclo[3.2.1]octane-5-acetic acid, 1-methyl-, methyl ester](/api/spectrum/3HUp1LiLMQ8/structure.png?h=300&w=458 "6,8-Dioxabicyclo[3.2.1]octane-5-acetic acid, 1-methyl-, methyl ester")
