SpectraBase Spectrum ID |
AYJAhx2LAiz |
Name |
Benzamide, N-(3-chlorophenyl)-4-ethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
259.076391774 u |
Formula |
C15H14ClNO |
InChI |
InChI=1S/C15H14ClNO/c1-2-11-6-8-12(9-7-11)15(18)17-14-5-3-4-13(16)10-14/h3-10H,2H2,1H3,(H,17,18) |
InChIKey |
QUCAEGXNFCWNHP-UHFFFAOYSA-N |
Molecular Weight |
259.736 g/mol |
SMILES |
C1(=CC=C(C=C1)C(NC1=CC(=CC=C1)Cl)=O)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932616 |