| SpectraBase Spectrum ID |
6CdTUc21GML |
| Name |
1H,3H-3A,7B-Etheno-4,7-methanobenzo[3,4]cyclobuta[1,2-C]furan, 3B,4,7,7A-tetrahydro-, (3A.alpha.,3B.alpha.,4.beta.,7.beta.,7A.alpha.,7B.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.104465070 u |
| Formula |
C13H14O |
| InChI |
InChI=1S/C13H14O/c1-2-13-5-14-4-12(1,13)10-6-3-7-9(8(6)10)11(7)13/h1-2,6-11H,3-5H2/t6-,7+,8-,9+,10-,11+,12+,13- |
| InChIKey |
AKNBMTZYZBTGCY-RKPOYUIDSA-N |
| Molecular Weight |
186.254 g/mol |
| SMILES |
[C@@]12([C@]3([C@]4([H])[C@@]3([H])C[C@@]1([H])[C@]2([C@]12[C@@]4(COC2)C=C1)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894129 |
![1H,3H-3a,7b-Etheno-4,7-methanobenzo[3,4]cyclobuta[1,2-c]furan, 3b,4,7,7a-tetrahydro-, (3a.alpha.,3b.alpha.,4.beta.,7.beta.,7a.alpha.,7b.alpha.)-](/api/spectrum/6CdTUc21GML/structure.png?h=300&w=458 "1H,3H-3a,7b-Etheno-4,7-methanobenzo[3,4]cyclobuta[1,2-c]furan, 3b,4,7,7a-tetrahydro-, (3a.alpha.,3b.alpha.,4.beta.,7.beta.,7a.alpha.,7b.alpha.)-")
