SpectraBase Spectrum ID |
7nTfxyAOf3j |
Name |
N-[1-(2-Methylbenzyl)-2-oxoazepan-3-yl]cyclobutanecarboxamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
314.199428083 u |
Formula |
C19H26N2O2 |
InChI |
InChI=1S/C19H26N2O2/c1-14-7-2-3-8-16(14)13-21-12-5-4-11-17(19(21)23)20-18(22)15-9-6-10-15/h2-3,7-8,15,17H,4-6,9-13H2,1H3,(H,20,22) |
InChIKey |
AGMWCUWVTPHUAS-UHFFFAOYSA-N |
Molecular Weight |
314.429 g/mol |
SMILES |
C1(CCC1)C(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840649 |