| SpectraBase Spectrum ID |
AaQ6NvryrHN |
| Name |
6-Oxabicyclo[3.2.1]oct-2-ene-8-carboxylic acid, 1,8-dimethyl-7-oxo-, _ |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.073558862 u |
| Formula |
C10H12O4 |
| InChI |
InChI=1S/C10H12O4/c1-9-5-3-4-6(14-8(9)13)10(9,2)7(11)12/h3,5-6H,4H2,1-2H3,(H,11,12)/t6-,9-,10+/m0/s1 |
| InChIKey |
YTFMHCXARQOBRZ-JMOVZRAMSA-N |
| Molecular Weight |
196.202 g/mol |
| SMILES |
OC([C@]1([C@]2(OC([C@@]1(C=CC2)C)=O)[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929661 |
![6-Oxabicyclo[3.2.1]oct-2-ene-8-carboxylic acid, 1,8-dimethyl-7-oxo-, _](/api/spectrum/AaQ6NvryrHN/structure.png?h=300&w=458 "6-Oxabicyclo[3.2.1]oct-2-ene-8-carboxylic acid, 1,8-dimethyl-7-oxo-, _")
