SpectraBase Spectrum ID |
G5aWn1c9xAP |
Name |
Benzamide, 2-fluoro-N-(2-butyl)-N-undecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
349.278092945 u |
Formula |
C22H36FNO |
InChI |
InChI=1S/C22H36FNO/c1-4-6-7-8-9-10-11-12-15-18-24(19(3)5-2)22(25)20-16-13-14-17-21(20)23/h13-14,16-17,19H,4-12,15,18H2,1-3H3 |
InChIKey |
DNWXOIBNHRBIKD-UHFFFAOYSA-N |
Molecular Weight |
349.534 g/mol |
SMILES |
C(=O)(N(CCCCCCCCCCC)C(CC)C)C=1C(F)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936607 |