SpectraBase Spectrum ID |
JIAW36ME3vs |
Name |
N-Ethyl-1-(2-bromo-4,5-dimethoxyphenyl)butan-2-amine HFB |
Classification |
Designer drug analog derivative |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
511.059303678 u |
Formula |
C18H21BrF7NO3 |
InChI |
InChI=1S/C18H21BrF7NO3/c1-5-11(7-10-8-13(29-3)14(30-4)9-12(10)19)27(6-2)15(28)16(20,21)17(22,23)18(24,25)26/h8-9,11H,5-7H2,1-4H3 |
InChIKey |
MEBWHPUIPCVFNI-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
512.263 g/mol |
Nominal Mass |
511 u |
Quality |
953 |
Retention Index |
2088 |
SMILES |
C(C(C(N(C(CC=1C(=CC(=C(C1)OC)OC)Br)CC)CC)=O)(F)F)(C(F)(F)F)(F)F |
SPLASH |
splash10-001i-4290000000-d39aa4b8f9d7e1c38d45 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
N-(1-(2-bromo-4,5-dimethoxyphenyl)butan-2-yl)-N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide |
Technique |
GC/MS |
Wiley ID |
DD2024_009124 |