| SpectraBase Spectrum ID |
7BxNQ0N71V1 |
| Name |
BENFLURALINE |
| CAS Registry Number |
1861-40-1 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
335.109290492 u |
| Formula |
C13H16F3N3O4 |
| InChI |
InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3 |
| InChIKey |
SMDHCQAYESWHAE-UHFFFAOYSA-N |
| Molecular Weight |
335.283 g/mol |
| Nominal Mass |
335 u |
| Number of Peaks |
115 |
| SMILES |
c1c(cc(c(c1[N+]([O-])=O)N(CC)CCCC)[N+]([O-])=O)C(F)(F)F |
| SPLASH |
splash10-0006-2390000000-5da62f4fdaaa2fd5d3df |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
N-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethylamine
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_3570 |
