SpectraBase Spectrum ID |
2RBatarTITF |
Name |
Valeramide, 2-methyl-N-(2-phenylethyl)-N-nonyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
345.303164879 u |
Formula |
C23H39NO |
InChI |
InChI=1S/C23H39NO/c1-4-6-7-8-9-10-14-19-24(23(25)21(3)15-5-2)20-18-22-16-12-11-13-17-22/h11-13,16-17,21H,4-10,14-15,18-20H2,1-3H3 |
InChIKey |
SGDCZDCDFRXMIG-UHFFFAOYSA-N |
Molecular Weight |
345.571 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C(CCC)C)CCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957255 |