SpectraBase Spectrum ID |
EC58uOOvDee |
Name |
Benzamide, 2,6-difluoro-3-methyl-N-(2-phenylethyl)-N-undecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
429.284321140 u |
Formula |
C27H37F2NO |
InChI |
InChI=1S/C27H37F2NO/c1-3-4-5-6-7-8-9-10-14-20-30(21-19-23-15-12-11-13-16-23)27(31)25-24(28)18-17-22(2)26(25)29/h11-13,15-18H,3-10,14,19-21H2,1-2H3 |
InChIKey |
FUDJHWKSDJZTPZ-UHFFFAOYSA-N |
Molecular Weight |
429.596 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C(=CC=C(C1F)C)F)CCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813248 |