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2-(.beta.-phenylisopropylamino)-3-(.beta.-hydroxyethyl)-4-methyl-5-cyano-6-hydroxypyridine
SpectraBase Compound ID D23UrjheeO1
InChI InChI=1S/C18H21N3O2/c1-12(10-14-6-4-3-5-7-14)20-17-15(8-9-22)13(2)16(11-19)18(23)21-17/h3-7,12,22H,8-10H2,1-2H3,(H2,20,21,23)
InChIKey HDXZAFYRHSHQQI-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C18H21N3O2
Exact Mass 311.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcB7VHBYMJs
Name 2-(.beta.-phenylisopropylamino)-3-(.beta.-hydroxyethyl)-4-methyl-5-cyano-6-hydroxypyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3O2
InChI InChI=1S/C18H21N3O2/c1-12(10-14-6-4-3-5-7-14)20-17-15(8-9-22)13(2)16(11-19)18(23)21-17/h3-7,12,22H,8-10H2,1-2H3,(H2,20,21,23)
InChIKey HDXZAFYRHSHQQI-UHFFFAOYSA-N
Molecular Weight 311.385 g/mol
SMILES Oc1nc(c(c(c1C#N)C)CCO)NC(Cc1ccccc1)C
SPLASH splash10-00b9-0980000000-b6e769726b05683cf427
Source of Spectrum HC-21-70-0
Synonyms 2-Hydroxy-5-(2-hydroxyethyl)-4-methyl-6-[(1-methyl-2-phenylethyl)amino]nicotinonitrile
Wiley ID 1312529