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1-benzyl-4-(butylamino)isonipecotonitrile, hydrate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 UV-Vis

1-benzyl-4-(butylamino)isonipecotonitrile, hydrate
SpectraBase Compound ID 6n78UIkJJyy
InChI InChI=1S/C17H25N3.H2O/c1-2-3-11-19-17(15-18)9-12-20(13-10-17)14-16-7-5-4-6-8-16;/h4-8,19H,2-3,9-14H2,1H3;1H2
InChIKey MPIZIUGNHOVGAU-UHFFFAOYSA-N
Mol Weight 289.423 g/mol
Molecular Formula C17H27N3O
Exact Mass 289.215413 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HybR7rBUHOg
Name 1-BENZYL-4-(BUTYLAMINO)ISONIPECOTONITRILE, HYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25N3 H2O
InChI InChI=1S/C17H25N3.H2O/c1-2-3-11-19-17(15-18)9-12-20(13-10-17)14-16-7-5-4-6-8-16;/h4-8,19H,2-3,9-14H2,1H3;1H2
InChIKey MPIZIUGNHOVGAU-UHFFFAOYSA-N
Molecular Weight 289.42
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ISONIPECOTONITRILE, 1-BENZYL-4-/BUTYLAMINO/-, HYDRATE