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L-733 060 HCl

View entire compound with spectra: 1 FTIR, and 1 Raman

L-733 060 HCl
SpectraBase Compound ID IHgmnx3vdaI
InChI InChI=1S/C20H19F6NO.ClH/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14;/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2;1H/t17-,18-;/m0./s1
InChIKey DYEUTIUITGHIEO-APTPAJQOSA-N
Mol Weight 439.83 g/mol
Molecular Formula C20H20ClF6NO
Exact Mass 439.113761 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID B4mN4GSpc5B
Name L-733,060 HCl
Source of Sample Tocris Bioscience
Catalog Number 1145
Lot Number 2A/83850
Accessory DurasamplIR II
CAS Registry Number 148687-76-7
Classification potent NK1 antagonist
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20ClF6NO
InChI InChI=1S/C20H19F6NO.ClH/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14;/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2;1H/t17-,18-;/m0./s1
InChIKey DYEUTIUITGHIEO-APTPAJQOSA-N
Instrument Name Bio-Rad FTS
SMILES N1CCC[C@](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)([C@@]1(c1ccccc1)[H])[H].Cl
Source of Spectrum Forensic Spectral Research
Synonyms (2S,3S)-3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine hydrochloride
Technique ATR-Neat (DuraSamplIR II)