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1-(2-anilinoethyl)-4-benzyl-3-phenylpiperazine, oxalate, hydrate(1:2:1/2)

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1-(2-anilinoethyl)-4-benzyl-3-phenylpiperazine, oxalate, hydrate(1:2:1/2)
SpectraBase Compound ID 79Qhv0fFYCD
InChI InChI=1S/2C25H29N3.4C2H2O4.H2O/c2*1-4-10-22(11-5-1)20-25-21-27(17-16-26-23-12-6-2-7-13-23)18-19-28(25)24-14-8-3-9-15-24;4*3-1(4)2(5)6;/h2*1-15,25-26H,16-21H2;4*(H,3,4)(H,5,6);1H2
InChIKey LAQZWBVLJHTDJJ-UHFFFAOYSA-N
Mol Weight 560.604 g/mol
Molecular Formula C29H33N3O8·½H2O
Exact Mass 560.232047 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JuTcRO3UCTs
Name 1-(2-ANILINOETHYL)-4-BENZYL-3-PHENYLPIPERAZINE, OXALATE, HYDRATE (1:2:1/2)
Source of Sample J. Okada, Kyoto University, Kyoto, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C58H68N6O17
InChI InChI=1S/2C25H29N3.4C2H2O4.H2O/c2*1-4-10-22(11-5-1)20-25-21-27(17-16-26-23-12-6-2-7-13-23)18-19-28(25)24-14-8-3-9-15-24;4*3-1(4)2(5)6;/h2*1-15,25-26H,16-21H2;4*(H,3,4)(H,5,6);1H2
InChIKey LAQZWBVLJHTDJJ-UHFFFAOYSA-N
Literature Reference J. PHARM. SOC. JAPAN 98, 1619(1978) Abstract-Chemical Abstracts= 90, 168547(1979)
Melting Point 107-108C
Molecular Weight 1121.207031
Synonyms PIPERAZINE, 1-/2-ANILINOETHYL/- 4-BENZYL-3-PHENYL-, OXALATE, HYDRATE /1 TO 2 TO 1/2/
Technique KBr WAFER