SpectraBase Spectrum ID |
IuSOyAdnMPY |
Name |
Valeramide, N-(2-phenylethyl)-N-(3-methylbutyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
275.224914557 u |
Formula |
C18H29NO |
InChI |
InChI=1S/C18H29NO/c1-4-5-11-18(20)19(14-12-16(2)3)15-13-17-9-7-6-8-10-17/h6-10,16H,4-5,11-15H2,1-3H3 |
InChIKey |
HNJQOLBMSGHUOG-UHFFFAOYSA-N |
SMILES |
C1=C(C=CC=C1)CCN(C(=O)CCCC)CCC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920102 |