SpectraBase Spectrum ID |
JNSoQ4micck |
Name |
Ethanone, 1-[4-(4-bromophenyl)-2,2,4,6-tetramethyl-3,4-dihydro-2H-quinolin-1-yl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
385.104127396 u |
Formula |
C21H24BrNO |
InChI |
InChI=1S/C21H24BrNO/c1-14-6-11-19-18(12-14)21(5,16-7-9-17(22)10-8-16)13-20(3,4)23(19)15(2)24/h6-12H,13H2,1-5H3 |
InChIKey |
WVAXDHRFGWSJSE-UHFFFAOYSA-N |
Molecular Weight |
386.333 g/mol |
SMILES |
C1=2N(C(CC(C2C=C(C=C1)C)(C1=CC=C(C=C1)Br)C)(C)C)C(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92273 |