SpectraBase Spectrum ID |
4Ip5rJVpnJC |
Name |
Acetamide, N-(2-phenylethyl)-N-hexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
247.193614428 u |
Formula |
C16H25NO |
InChI |
InChI=1S/C16H25NO/c1-3-4-5-9-13-17(15(2)18)14-12-16-10-7-6-8-11-16/h6-8,10-11H,3-5,9,12-14H2,1-2H3 |
InChIKey |
DPIGKDSEWQJGSI-UHFFFAOYSA-N |
Molecular Weight |
247.382 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C)CCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963772 |