SpectraBase Spectrum ID |
FzSa2pPekvp |
Name |
9,10-Etheno-4A,9A-methanoanthracene, 9,10-dihydro-, (4A.alpha.,9.alpha.,9A.alpha.,10.alpha.)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
218.109550451 u |
Formula |
C17H14 |
InChI |
InChI=1S/C17H14/c1-2-6-13-12(5-1)14-7-8-15(13)17-10-4-3-9-16(14,17)11-17/h1-10,14-15H,11H2 |
InChIKey |
DCJFWCNUJMFKFN-UHFFFAOYSA-N |
Molecular Weight |
218.299 g/mol |
SMILES |
C123C(C4C=CC3C3=C4C=CC=C3)(C=CC=C2)C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800595 |