SpectraBase Spectrum ID |
HY4aeGtqY3n |
Name |
.alpha.-Methyl-.beta.-N-[2-phenyl-3-methylaziridyl]propiophenone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
279.162314299 u |
Formula |
C19H21NO |
InChI |
InChI=1S/C19H21NO/c1-14(19(21)17-11-7-4-8-12-17)13-20-15(2)18(20)16-9-5-3-6-10-16/h3-12,14-15,18H,13H2,1-2H3 |
InChIKey |
MRWQZUHLVGSSEV-UHFFFAOYSA-N |
SMILES |
C1=CC(C(C(CN2C(C3=CC=CC=C3)C2C)C)=O)=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815342 |