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N-[2-(4-ethyl-3-phenyl-1-piperazinyl)ethyl]propionanilide, dihydrochloride, hydrate

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N-[2-(4-ethyl-3-phenyl-1-piperazinyl)ethyl]propionanilide, dihydrochloride, hydrate
SpectraBase Compound ID 4Fw1up9fEbr
InChI InChI=1S/C23H31N3O.2ClH.H2O/c1-3-23(27)26(21-13-9-6-10-14-21)18-16-24-15-17-25(4-2)22(19-24)20-11-7-5-8-12-20;;;/h5-14,22H,3-4,15-19H2,1-2H3;2*1H;1H2
InChIKey DNCUTURQCIKFPV-UHFFFAOYSA-N
Mol Weight 456.46 g/mol
Molecular Formula C23H35Cl2N3O2
Exact Mass 455.210633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6GmsHlyR4lU
Name N-[2-(4-ETHYL-3-PHENYL-1-PIPERAZINYL)ETHYL]PROPIONANILIDE,DIHYDROCHLORIDE, HYDRATE
Source of Sample J. Okada, Kyoto University, Kyoto, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31N3O 2HCl H2O
InChI InChI=1S/C23H31N3O.2ClH.H2O/c1-3-23(27)26(21-13-9-6-10-14-21)18-16-24-15-17-25(4-2)22(19-24)20-11-7-5-8-12-20;;;/h5-14,22H,3-4,15-19H2,1-2H3;2*1H;1H2
InChIKey DNCUTURQCIKFPV-UHFFFAOYSA-N
Melting Point 200-201C
Molecular Weight 456.46
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms PROPIONANILIDE, N-/2-/4-ETHYL- 3-PHENYL-1-PIPERAZINYL/ETHYL/-, DIHYDROCHLORIDE, HYDRATE