SpectraBase Spectrum ID |
GM7jj8wxF2D |
Name |
Benzamide, N-(2-pentyl)-N-isobutyl- |
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/c1-5-9-14(4)17(12-13(2)3)16(18)15-10-7-6-8-11-15/h6-8,10-11,13-14H,5,9,12H2,1-4H3 |
InChIKey |
OTTDXGYFNTYSBX-UHFFFAOYSA-N |
Molecular Weight |
247.382 g/mol |
SMILES |
CCCC(N(C(=O)C=1C=CC=CC1)CC(C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95452 |