SpectraBase Spectrum ID |
JVAXyiZ7MKZ |
Name |
Benzamide, 4-ethyl-N-octyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.209264492 u |
Formula |
C17H27NO |
InChI |
InChI=1S/C17H27NO/c1-3-5-6-7-8-9-14-18-17(19)16-12-10-15(4-2)11-13-16/h10-13H,3-9,14H2,1-2H3,(H,18,19) |
InChIKey |
CNMPFSYIOYVJAT-UHFFFAOYSA-N |
Molecular Weight |
261.409 g/mol |
SMILES |
C1=C(C=CC(=C1)CC)C(NCCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95603 |