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

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

1-benzyl-4-(propylamino)isonipecotonitrile, hydrate
SpectraBase Compound ID 2MqvDbNOlZr
InChI InChI=1S/C16H23N3.H2O/c1-2-10-18-16(14-17)8-11-19(12-9-16)13-15-6-4-3-5-7-15;/h3-7,18H,2,8-13H2,1H3;1H2
InChIKey PCHXNZVEOXOJAS-UHFFFAOYSA-N
Mol Weight 275.396 g/mol
Molecular Formula C16H25N3O
Exact Mass 275.199762 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1WXUPLNmpjf
Name 1-BENZYL-4-(PROPYLAMINO)ISONIPECOTONITRILE, HYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S35834
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25N3O
InChI InChI=1S/C16H23N3.H2O/c1-2-10-18-16(14-17)8-11-19(12-9-16)13-15-6-4-3-5-7-15;/h3-7,18H,2,8-13H2,1H3;1H2
InChIKey PCHXNZVEOXOJAS-UHFFFAOYSA-N
Molecular Weight 275.395996
Synonyms ISONIPECOTONITRILE, 1-BENZYL- 4-/PROPYLAMINO/-, HYDRATE
Technique CAPILLARY CELL: MELT (CRYSTALLINE PHASE)