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

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

1-benzyl-4-(isopropylamino)isonipecotonitrile, hydrate
SpectraBase Compound ID BcjSOq9o03K
InChI InChI=1S/C16H23N3.H2O/c1-14(2)18-16(13-17)8-10-19(11-9-16)12-15-6-4-3-5-7-15;/h3-7,14,18H,8-12H2,1-2H3;1H2
InChIKey WSMUPEBGKQASBH-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 7pbLml6fTri
Name 1-BENZYL-4-(ISOPROPYLAMINO)ISONIPECOTONITRILE, HYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S35832
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25N3O
InChI InChI=1S/C16H23N3.H2O/c1-14(2)18-16(13-17)8-10-19(11-9-16)12-15-6-4-3-5-7-15;/h3-7,14,18H,8-12H2,1-2H3;1H2
InChIKey WSMUPEBGKQASBH-UHFFFAOYSA-N
Molecular Weight 275.395996
Synonyms ISONIPECOTONITRILE, 1-BENZYL- 4-/ISOPROPYLAMINO/-, HYDRATE
Technique CAPILLARY CELL: MELT (LIQUID PHASE)