| SpectraBase Spectrum ID |
JpvZTjKAzFR |
| Name |
N,N-Dibutyl-3-chloro-2-fluorophenethylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.165955672 u |
| Formula |
C16H25ClFN |
| InChI |
InChI=1S/C16H25ClFN/c1-3-5-11-19(12-6-4-2)13-10-14-8-7-9-15(17)16(14)18/h7-9H,3-6,10-13H2,1-2H3 |
| InChIKey |
VWYJUBXFSYPPRM-UHFFFAOYSA-N |
| Molecular Weight |
285.834 g/mol |
| SMILES |
C=1(C(=C(C=CC1)Cl)F)CCN(CCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950394 |
