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25B-NBF HCl
SpectraBase Compound ID GMjIDL0WNfL
InChI InChI=1S/C17H19BrFNO2.ClH/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-15(13)19;/h3-6,9-10,20H,7-8,11H2,1-2H3;1H
InChIKey OSPTXOUFWUFHAM-UHFFFAOYSA-N
Mol Weight 404.71 g/mol
Molecular Formula C17H20BrClFNO2
Exact Mass 403.034998 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 7g6KJewq2tC
Name 25B-NBF HCl
Source of Sample Cayman Chemical Company
Catalog Number 15967
Lot Number 0458296-26
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 1539266-17-5
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Formula C17H20BrClFNO2
IUPAC Name 4-Bromo-N-[(2-fluorophenyl)methyl]-2,5-dimethoxybenzeneethanamine, monohydrochloride
InChI InChI=1S/C17H19BrFNO2.ClH/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-15(13)19;/h3-6,9-10,20H,7-8,11H2,1-2H3;1H
InChIKey OSPTXOUFWUFHAM-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 404.707 g/mol
Purity >=98%
SMILES Cl.N(CCc1cc(c(cc1OC)Br)OC)Cc1c(cccc1)F
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms 2C-B-NBF
Technique ATR-Neat