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1-(2-anilino-2-methylethyl)-4-butylpiperazine, oxalate(1:2), hemihydrate

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

1-(2-anilino-2-methylethyl)-4-butylpiperazine, oxalate(1:2), hemihydrate
SpectraBase Compound ID JeGGOnTe7wr
InChI InChI=1S/C17H29N3.2C2H2O4.H2O/c1-3-4-10-19-11-13-20(14-12-19)15-16(2)18-17-8-6-5-7-9-17;2*3-1(4)2(5)6;/h5-9,16,18H,3-4,10-15H2,1-2H3;2*(H,3,4)(H,5,6);1H2
InChIKey RPSQGYYXJRFHFK-UHFFFAOYSA-N
Mol Weight 464.515 g/mol
Molecular Formula C21H33N3O8·½H2O
Exact Mass 464.232047 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2Yx8Ng1DMBd
Name 1-(2-ANILINO-2-METHYLETHYL)-4-BUTYLPIPERAZINE, OXALATE (1:2), HEMIHYDRATE
Source of Sample J. Okada, Kyoto University, Kyoto, Japan
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H68N6O17
InChI InChI=1S/C17H29N3.2C2H2O4.H2O/c1-3-4-10-19-11-13-20(14-12-19)15-16(2)18-17-8-6-5-7-9-17;2*3-1(4)2(5)6;/h5-9,16,18H,3-4,10-15H2,1-2H3;2*(H,3,4)(H,5,6);1H2
InChIKey RPSQGYYXJRFHFK-UHFFFAOYSA-N
Literature Reference CHEM. PHARM. BULL. TOKYO 28, 3315(1980) Abstract-Chemical Abstracts= 94, 192270(1981)
Melting Point 202.5-203C
Molecular Weight 929.031006
Synonyms PIPERAZINE, 1-/2-ANILINO-2-METHYL- ETHYL/-4-BUTYL-, OXALATE /1 TO 2/, HEMIHYDRATE
Technique KBr WAFER