SpectraBase Spectrum ID |
1IynRQ81T94 |
Name |
1-Phenyl-2-phenethylaminopropan-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
253.146664235 u |
Formula |
C17H19NO |
InChI |
InChI=1S/C17H19NO/c1-14(17(19)16-10-6-3-7-11-16)18-13-12-15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3 |
InChIKey |
TUKWINMOTOMTNB-UHFFFAOYSA-N |
Molecular Weight |
253.345 g/mol |
SMILES |
C(C(NCCC=1C=CC=CC1)C)(C=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915653 |