SpectraBase Spectrum ID |
H6eMdtPWVKK |
Name |
Benzamide, 4-methyl-N-(2-ethylhexyl)- |
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/c1-4-6-7-14(5-2)12-17-16(18)15-10-8-13(3)9-11-15/h8-11,14H,4-7,12H2,1-3H3,(H,17,18) |
InChIKey |
IZWFAWINODGLHJ-UHFFFAOYSA-N |
Molecular Weight |
247.382 g/mol |
SMILES |
C(NCC(CCCC)CC)(=O)C=1C=CC(=CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974243 |