| SpectraBase Spectrum ID |
5MiZmcSAz68 |
| Name |
7-Oxabicyclo[4.1.0]heptane-1-propanoic acid, 2,2,6-trimethyl-5-oxo-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.136159120 u |
| Formula |
C13H20O4 |
| InChI |
InChI=1S/C13H20O4/c1-11(2)7-5-9(14)12(3)13(11,17-12)8-6-10(15)16-4/h5-8H2,1-4H3 |
| InChIKey |
UPDULLNNKDLQJU-UHFFFAOYSA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
C12(C(C(=O)CCC2(C)C)(C)O1)CCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981916 |
![7-Oxabicyclo[4.1.0]heptane-1-propanoic acid, 2,2,6-trimethyl-5-oxo-, methyl ester](/api/spectrum/5MiZmcSAz68/structure.png?h=300&w=458 "7-Oxabicyclo[4.1.0]heptane-1-propanoic acid, 2,2,6-trimethyl-5-oxo-, methyl ester")
