SpectraBase Spectrum ID |
1XDR050oW3p |
Name |
4-(Dibutylamino)benzotrifluoride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
273.170434201 u |
Formula |
C15H22F3N |
InChI |
InChI=1S/C15H22F3N/c1-3-5-11-19(12-6-4-2)14-9-7-13(8-10-14)15(16,17)18/h7-10H,3-6,11-12H2,1-2H3 |
InChIKey |
WZVLKXUZDXMYMI-UHFFFAOYSA-N |
Molecular Weight |
273.343 g/mol |
SMILES |
C(C=1C=CC(=CC1)N(CCCC)CCCC)(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833587 |