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N-(3-Bromobenzyl)-2-fluoro-4,5-methylenedioxyamphetamine

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

N-(3-Bromobenzyl)-2-fluoro-4,5-methylenedioxyamphetamine
SpectraBase Compound ID NRlKoOUvnm
InChI InChI=1S/C17H17BrFNO2/c1-11(20-9-12-3-2-4-14(18)6-12)5-13-7-16-17(8-15(13)19)22-10-21-16/h2-4,6-8,11,20H,5,9-10H2,1H3
InChIKey JAVXGFDKDXGMNG-UHFFFAOYSA-N
Mol Weight 366.23 g/mol
Molecular Formula C17H17BrFNO2
Exact Mass 365.04267 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Ar3hvieI8q
Name N-(3-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 365.042669952 u
Formula C17H17BrFNO2
InChI InChI=1S/C17H17BrFNO2/c1-11(20-9-12-3-2-4-14(18)6-12)5-13-7-16-17(8-15(13)19)22-10-21-16/h2-4,6-8,11,20H,5,9-10H2,1H3
InChIKey JAVXGFDKDXGMNG-UHFFFAOYSA-N
Molecular Weight 366.230 g/mol
SMILES C1(=C(C=C2C(=C1)OCO2)F)CC(NCC=1C=C(C=CC1)Br)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882371