For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N,N-Bis(4-bromobenzyl)-1-(3,4-difluoromethylenedioxyphenyl)butan-2-amine
SpectraBase Compound ID 17GqLGfdDW3
InChI InChI=1S/C25H23Br2F2NO2/c1-2-22(13-19-7-12-23-24(14-19)32-25(28,29)31-23)30(15-17-3-8-20(26)9-4-17)16-18-5-10-21(27)11-6-18/h3-12,14,22H,2,13,15-16H2,1H3
InChIKey OEGJJXWWFAELBU-UHFFFAOYSA-N
Mol Weight 567.27 g/mol
Molecular Formula C25H23Br2F2NO2
Exact Mass 565.006361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Dl6gnUPOFQe
Name N,N-Bis(4-bromobenzyl)-1-(3,4-difluoromethylenedioxyphenyl)butan-2-amine
Classification Phenylbutanamine designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 565.006361309 u
Formula C25H23Br2F2NO2
InChI InChI=1S/C25H23Br2F2NO2/c1-2-22(13-19-7-12-23-24(14-19)32-25(28,29)31-23)30(15-17-3-8-20(26)9-4-17)16-18-5-10-21(27)11-6-18/h3-12,14,22H,2,13,15-16H2,1H3
InChIKey OEGJJXWWFAELBU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 567.269 g/mol
Nominal Mass 565 u
Quality 1000
Retention Index 3915
SMILES C1(OC=2C(O1)=CC(CC(N(CC=1C=CC(=CC1)Br)CC1=CC=C(C=C1)Br)CC)=CC2)(F)F
SPLASH splash10-00r5-2905000000-8051be4f771ffb1a624a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Bis(4-bromobenzyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)butan-2-amine
Technique GC/MS
Wiley ID DD2024_019816