| SpectraBase Spectrum ID |
1vKZGGvrb75 |
| Name |
1H,3H-4A,8A-Epoxy-5,8-methanonaphtho[2,3-C]furan-1,3-dione, octahydro-, (3A.alpha.,4A.beta.,5.beta.,8.beta.,8A.beta.,9A.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.089208927 u |
| Formula |
C13H14O4 |
| InChI |
InChI=1S/C13H14O4/c14-10-8-4-12-6-1-2-7(3-6)13(12,17-12)5-9(8)11(15)16-10/h6-9H,1-5H2/t6-,7+,8+,9-,12-,13+ |
| InChIKey |
PRBSNYGIHLNGOD-ZMNFOFMFSA-N |
| Molecular Weight |
234.251 g/mol |
| SMILES |
[C@]123[C@](C[C@]4(C(=O)OC([C@]4(C1)[H])=O)[H])([C@]1([H])C[C@]2(CC1)[H])O3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834144 |
![1H,3H-4a,8a-Epoxy-5,8-methanonaphtho[2,3-c]furan-1,3-dione, octahydro-, (3a.alpha.,4a.beta.,5.beta.,8.beta.,8a.beta.,9a.alpha.)-](/api/spectrum/1vKZGGvrb75/structure.png?h=300&w=458 "1H,3H-4a,8a-Epoxy-5,8-methanonaphtho[2,3-c]furan-1,3-dione, octahydro-, (3a.alpha.,4a.beta.,5.beta.,8.beta.,8a.beta.,9a.alpha.)-")
