| SpectraBase Spectrum ID |
LTe8UjXcaW2 |
| Name |
2H-Cyclohepta[B]furan-2,4(3H)-dione, 3A,7,8,8A-tetrahydro-3,3A,5-trimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.109944372 u |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-7-5-4-6-9-12(3,10(7)13)8(2)11(14)15-9/h5,8-9H,4,6H2,1-3H3 |
| InChIKey |
HKHKVSCGUGTRDD-UHFFFAOYSA-N |
| Molecular Weight |
208.257 g/mol |
| SMILES |
C12(C(C(=CCCC1OC(C2C)=O)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935183 |
![2H-Cyclohepta[b]furan-2,4(3H)-dione, 3a,7,8,8a-tetrahydro-3,3a,5-trimethyl-](/api/spectrum/LTe8UjXcaW2/structure.png?h=300&w=458 "2H-Cyclohepta[b]furan-2,4(3H)-dione, 3a,7,8,8a-tetrahydro-3,3a,5-trimethyl-")
