| SpectraBase Spectrum ID |
5mxTOU3lqk |
| Name |
1,4-Epoxy-4A,12B-methanotriphenylene, 1,4-dihydro-, (1.alpha.,4.alpha.,4A.alpha.,12B.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.104465070 u |
| Formula |
C19H14O |
| InChI |
InChI=1S/C19H14O/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)19-11-18(14,19)16-9-10-17(19)20-16/h1-10,16-17H,11H2/t16-,17+,18+,19- |
| InChIKey |
FIIMQAKDVNKZEB-SEXKYXSUSA-N |
| Molecular Weight |
258.320 g/mol |
| SMILES |
[C@]123[C@@](C=4C=CC=CC4C4=C3C=CC=C4)([C@]3([H])O[C@]2(C=C3)[H])C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933914 |
