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

*Links on SpectraBase are not permalinks.
DFBDB N,N-bis(3-iodobenzyl)
SpectraBase Compound ID 8QnAMQrwPBZ
InChI InChI=1S/C25H23F2I2NO2/c1-2-22(13-17-9-10-23-24(14-17)32-25(26,27)31-23)30(15-18-5-3-7-20(28)11-18)16-19-6-4-8-21(29)12-19/h3-12,14,22H,2,13,15-16H2,1H3
InChIKey SNKAYDREEUTDJN-UHFFFAOYSA-N
Mol Weight 661.27 g/mol
Molecular Formula C25H23F2I2NO2
Exact Mass 660.978625 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 CkVnNhZSmmE
Name DFBDB N,N-bis(3-iodobenzyl)
Classification Phenylbutanamine designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 660.978625309 u
Formula C25H23F2I2NO2
InChI InChI=1S/C25H23F2I2NO2/c1-2-22(13-17-9-10-23-24(14-17)32-25(26,27)31-23)30(15-18-5-3-7-20(28)11-18)16-19-6-4-8-21(29)12-19/h3-12,14,22H,2,13,15-16H2,1H3
InChIKey SNKAYDREEUTDJN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 661.270 g/mol
Nominal Mass 661 u
Quality 1000
Retention Index 4331
SMILES C1(OC=2C(O1)=CC(CC(N(CC=1C=C(C=CC1)I)CC=1C=C(C=CC1)I)CC)=CC2)(F)F
SPLASH splash10-0006-5240900000-66590be683ff92088e3b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(2,2-Difluoro-2H-1,3-benzodioxol-5-yl)-N,N-bis(3-iodobenzyl)butan-2-amine
Technique GC/MS
Wiley ID DD2024_021852