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Celiprolol
SpectraBase Compound ID GT6YyombJo2
InChI InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)
InChIKey JOATXPAWOHTVSZ-UHFFFAOYSA-N
Mol Weight 379.5 g/mol
Molecular Formula C20H33N3O4
Exact Mass 379.247107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXCluUtP1vR
Name 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea
Alternate Name(s) 3-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-ethanoyl-phenyl]-1,1-diethyl-urea
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Formula C20H33N3O4
InChI InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)
InChIKey JOATXPAWOHTVSZ-UHFFFAOYSA-N
Molecular Weight 379.501 g/mol
SMILES N(C(N(CC)CC)=O)c1ccc(OCC(CNC(C)(C)C)O)c(c1)C(=O)C
SPLASH splash10-0udr-9350000000-471ee7685a247a8c9f0f
Source of Spectrum CJ-0-35-0
Wiley ID 1359262