SpectraBase Spectrum ID |
B57jRggr0HB |
Name |
Cyclobutanecarboxamide, 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 |
329.271864750 u |
Formula |
C22H35NO |
InChI |
InChI=1S/C22H35NO/c1-2-3-4-5-6-7-11-18-23(22(24)21-15-12-16-21)19-17-20-13-9-8-10-14-20/h8-10,13-14,21H,2-7,11-12,15-19H2,1H3 |
InChIKey |
LWLKLVFHRAFZAK-UHFFFAOYSA-N |
Molecular Weight |
329.528 g/mol |
SMILES |
C1(=CC=CC=C1)CCN(C(=O)C1CCC1)CCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939524 |