SpectraBase Spectrum ID |
HHEery5q4lb |
Name |
Benzamide, 2-methyl-N-methyl-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/c1-4-5-6-7-10-13-17(3)16(18)15-12-9-8-11-14(15)2/h8-9,11-12H,4-7,10,13H2,1-3H3 |
InChIKey |
YSODXVCKNJRVCW-UHFFFAOYSA-N |
Molecular Weight |
247.382 g/mol |
SMILES |
C(=O)(N(CCCCCCC)C)C1=CC=CC=C1C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966656 |