SpectraBase Spectrum ID |
3Xcg9BeE0Dq |
Name |
Benzamide, 2,4-dimethyl-N-heptyl- |
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/c1-4-5-6-7-8-11-17-16(18)15-10-9-13(2)12-14(15)3/h9-10,12H,4-8,11H2,1-3H3,(H,17,18) |
InChIKey |
TXKSYNQBHIRTBQ-UHFFFAOYSA-N |
Molecular Weight |
247.382 g/mol |
SMILES |
C(CNC(=O)C1=C(C)C=C(C)C=C1)CCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975314 |