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1-{2-[(o-chlorophenyl)phenylmethoxy]ethyl}-4-(m-methylbenzyl)piperazine, dihydrochloride
SpectraBase Compound ID 8SfGkM2wduw
InChI InChI=1S/C27H31ClN2O.2ClH/c1-22-8-7-9-23(20-22)21-30-16-14-29(15-17-30)18-19-31-27(24-10-3-2-4-11-24)25-12-5-6-13-26(25)28;;/h2-13,20,27H,14-19,21H2,1H3;2*1H
InChIKey AQFYNPRBSLIRHZ-UHFFFAOYSA-N
Mol Weight 507.93 g/mol
Molecular Formula C27H33Cl3N2O
Exact Mass 506.165847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9O0FTst9XVg
Name 1-{2-[(o-CHLOROPHENYL)PHENYLMETHOXY]ETHYL}-4-(m-METHYLBENZYL)PIPERAZINE,DIHYDROCHLORIDE
Source of Sample H. Morren, Union Chimique Belge, Brussels, Belgium
Boiling Point 240C/0.1mm
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31ClN2O 2HCl
InChI InChI=1S/C27H31ClN2O.2ClH/c1-22-8-7-9-23(20-22)21-30-16-14-29(15-17-30)18-19-31-27(24-10-3-2-4-11-24)25-12-5-6-13-26(25)28;;/h2-13,20,27H,14-19,21H2,1H3;2*1H
InChIKey AQFYNPRBSLIRHZ-UHFFFAOYSA-N
Melting Point 226C
Molecular Weight 507.94
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PIPERAZINE, 1-/2-/2-CHLOROBENZHYDRYLOXY/ETHYL/-4-/3-METHYLBENZYL/-, DIHYDROCHLORIDE