| SpectraBase Spectrum ID |
2KM6R72xteW |
| Name |
3,3,5,5,10C-Pentamethyl-6-aza-1,2,3,5,5A,6,10B.10C-ictahydroacephenanthrylene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.214349873 u |
| Formula |
C20H27N |
| InChI |
InChI=1S/C20H27N/c1-18(2)11-10-14-13-8-6-7-9-15(13)21-17-19(3,4)12-16(18)20(14,17)5/h6-9,12,14,17,21H,10-11H2,1-5H3/t14?,17?,20-/m1/s1 |
| InChIKey |
FMAZQUKESDQLRE-CODVMQSSSA-N |
| SMILES |
[C@@]12(C3=CC(C2NC2=C(C1CCC3(C)C)C=CC=C2)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962851 |
