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N,N-Bis(4-bromobenzyl)-2-fluoro-4,5-methylenedioxyamphetamine

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N,N-Bis(4-bromobenzyl)-2-fluoro-4,5-methylenedioxyamphetamine
SpectraBase Compound ID 9REP4XaiMY3
InChI InChI=1S/C24H22Br2FNO2/c1-16(10-19-11-23-24(12-22(19)27)30-15-29-23)28(13-17-2-6-20(25)7-3-17)14-18-4-8-21(26)9-5-18/h2-9,11-12,16H,10,13-15H2,1H3
InChIKey SIPZZLMNMAQNSX-UHFFFAOYSA-N
Mol Weight 535.25 g/mol
Molecular Formula C24H22Br2FNO2
Exact Mass 533.000133 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4CnFSjo4F10
Name N,N-bis(4-Bromobenzyl)-2-fluoro-4,5-methylenedioxyamphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 533.000133113 u
Formula C24H22Br2FNO2
InChI InChI=1S/C24H22Br2FNO2/c1-16(10-19-11-23-24(12-22(19)27)30-15-29-23)28(13-17-2-6-20(25)7-3-17)14-18-4-8-21(26)9-5-18/h2-9,11-12,16H,10,13-15H2,1H3
InChIKey SIPZZLMNMAQNSX-UHFFFAOYSA-N
Molecular Weight 535.251 g/mol
SMILES C1(=C(C=C2C(=C1)OCO2)F)CC(N(CC=1C=CC(=CC1)Br)CC=1C=CC(=CC1)Br)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826711