SpectraBase Spectrum ID |
LI1UaD2MwfQ |
Name |
.Delta.-(9,10)-africanene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
204.187800773 u |
Formula |
C15H24 |
InChI |
InChI=1S/C15H24/c1-10-5-6-13-12(10)9-14(2,3)7-11-8-15(11,13)4/h5,11-13H,6-9H2,1-4H3/t11-,12+,13+,15+/m0/s1 |
InChIKey |
LOWGZUQIXFZBPD-KYEXWDHISA-N |
Molecular Weight |
204.357 g/mol |
SMILES |
[C@@]12([C@@](CC(C)(C)C[C@]3([C@]2(CC=C3C)[H])[H])(C1)[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938029 |