| SpectraBase Spectrum ID |
DMbJcYhIh4B |
| Name |
4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.104858991 u |
| Formula |
C11H16O4 |
| InChI |
InChI=1S/C11H16O4/c1-9(2)10(3)5-6-11(9,8(13)14-4)15-7(10)12/h5-6H2,1-4H3/t10-,11+/m1/s1 |
| InChIKey |
JYUDOMSPXHSDIA-MNOVXSKESA-N |
| Molecular Weight |
212.245 g/mol |
| SMILES |
C1[C@@]2(C([C@@](C(O2)=O)(C1)C)(C)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943109 |
![4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, methyl ester](/api/spectrum/DMbJcYhIh4B/structure.png?h=300&w=458 "4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, methyl ester")
