SpectraBase Spectrum ID |
9nThpcV8jEf |
Name |
9-T-Butyl-9,10-dihydro-9,10-ethanoanthracene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
262.172150708 u |
Formula |
C20H22 |
InChI |
InChI=1S/C20H22/c1-19(2,3)20-13-12-14(15-8-4-6-10-17(15)20)16-9-5-7-11-18(16)20/h4-11,14H,12-13H2,1-3H3 |
InChIKey |
JXTVTMNMFDUBJJ-UHFFFAOYSA-N |
Molecular Weight |
262.396 g/mol |
SMILES |
C12(C3=C(C=CC=C3)C(CC1)C=1C2=CC=CC1)C(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889855 |