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25B-NB4OMe HCl
SpectraBase Compound ID GHLqZ3qFLwW
InChI InChI=1S/C18H22BrNO3.ClH/c1-21-15-6-4-13(5-7-15)12-20-9-8-14-10-18(23-3)16(19)11-17(14)22-2;/h4-7,10-11,20H,8-9,12H2,1-3H3;1H
InChIKey NSOWPQJRJBOZQN-UHFFFAOYSA-N
Mol Weight 416.74 g/mol
Molecular Formula C18H23BrClNO3
Exact Mass 415.054984 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID G9rJFkgv278
Name 25B-NB4OMe HCl
Source of Sample Cayman Chemical Company
Catalog Number 19499
Lot Number 0485216-9
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 1566571-56-9
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23BrClNO3
IUPAC Name 4-Bromo-2,5-dimethoxy-N-[(4-methoxyphenyl)methyl]benzeneethanamine, monohydrochloride
InChI InChI=1S/C18H22BrNO3.ClH/c1-21-15-6-4-13(5-7-15)12-20-9-8-14-10-18(23-3)16(19)11-17(14)22-2;/h4-7,10-11,20H,8-9,12H2,1-3H3;1H
InChIKey NSOWPQJRJBOZQN-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 416.743 g/mol
Purity >=95%
SMILES Cl.N(CCc1cc(c(cc1OC)Br)OC)Cc1ccc(cc1)OC
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms 25B-NBOMe 4-Methoxy isomer
Technique ATR-Neat
UV - Neutral Conditions UVmax (nm): 228, 296