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Labetalol diacetate
SpectraBase Compound ID 7RZWeLCUcn8
InChI InChI=1S/C23H28N2O5/c1-15(9-10-18-7-5-4-6-8-18)25-14-22(30-17(3)27)19-11-12-21(29-16(2)26)20(13-19)23(24)28/h4-8,11-13,15,22,25H,9-10,14H2,1-3H3,(H2,24,28)
InChIKey BLCIJCCWPSQMTC-UHFFFAOYSA-N
Mol Weight 412.49 g/mol
Molecular Formula C23H28N2O5
Exact Mass 412.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C87o0MpfEZD
Name Labetalol diacetate
Alternate Name(s) 1-[4-(acetyloxy)-3-(aminocarbonyl)phenyl]-2-[(1-methyl-3-phenylpropyl)amino]ethyl acetate
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Formula C23H28N2O5
InChI InChI=1S/C23H28N2O5/c1-15(9-10-18-7-5-4-6-8-18)25-14-22(30-17(3)27)19-11-12-21(29-16(2)26)20(13-19)23(24)28/h4-8,11-13,15,22,25H,9-10,14H2,1-3H3,(H2,24,28)
InChIKey BLCIJCCWPSQMTC-UHFFFAOYSA-N
Molecular Weight 412.486 g/mol
SMILES N(CC(c1ccc(c(C(=O)N)c1)OC(=O)C)OC(=O)C)C(CCc1ccccc1)C
SPLASH splash10-01pc-2932000000-80836a3bf0ad84bec3e7
Source of Spectrum JZ-1992-1080-0
Wiley ID 1374463