SpectraBase Spectrum ID |
4XS72UxIuYn |
Name |
Benzamide, 2-methyl-N-propyl-N-heptyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
275.224914557 u |
Formula |
C18H29NO |
InChI |
InChI=1S/C18H29NO/c1-4-6-7-8-11-15-19(14-5-2)18(20)17-13-10-9-12-16(17)3/h9-10,12-13H,4-8,11,14-15H2,1-3H3 |
InChIKey |
ICRKQKDWFWPLHU-UHFFFAOYSA-N |
SMILES |
C(C1=CC=CC=C1C)(N(CCCCCCC)CCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966534 |