| SpectraBase Spectrum ID |
TL73CZDXa7 |
| Name |
4,8,5,7-Ethanediylidene-4H-pentaleno[1,6-bc]oxepin |
| 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/c1-2-14-13-11-6-3-5-7(11)4(1)8-9(5)10(6)12(8)13/h1-2,4-13H,3H2/t4-,5+,6+,7+,8-,9+,10+,11-,12-,13+/m0/s1 |
| InChIKey |
FSULZHUYOLTLJN-CUKVTYNZSA-N |
| Molecular Weight |
186.254 g/mol |
| SMILES |
[C@@]12(OC=C[C@]3([C@]4([C@@]2([C@]2([C@]5([C@@]1([C@@]3([C@]5([C@@]4(C2)[H])[H])[H])[H])[H])[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958072 |
![4,8,5,7-Ethanediylidene-4H-pentaleno[1,6-bc]oxepin](/api/spectrum/TL73CZDXa7/structure.png?h=300&w=458 "4,8,5,7-Ethanediylidene-4H-pentaleno[1,6-bc]oxepin")
