SpectraBase Spectrum ID |
4VStZW21OB0 |
Name |
2-(4-Chlorophenyl)-N-methyl-N-phenylpropanamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
273.092041838 u |
Formula |
C16H16ClNO |
InChI |
InChI=1S/C16H16ClNO/c1-12(13-8-10-14(17)11-9-13)16(19)18(2)15-6-4-3-5-7-15/h3-12H,1-2H3 |
InChIKey |
VVMPMLVRSFNJJU-UHFFFAOYSA-N |
SMILES |
C1(Cl)=CC=C(C=C1)C(C(=O)N(C1=CC=CC=C1)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880494 |