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Dobutamine 4AC
SpectraBase Compound ID 6NanbWpMF65
InChI InChI=1S/C26H31NO7/c1-17(6-7-22-8-11-24(12-9-22)32-19(3)29)27(18(2)28)15-14-23-10-13-25(33-20(4)30)26(16-23)34-21(5)31/h8-13,16-17H,6-7,14-15H2,1-5H3
InChIKey ZDHFPRSLOCLTIW-UHFFFAOYSA-N
Mol Weight 469.53 g/mol
Molecular Formula C26H31NO7
Exact Mass 469.210052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbyHWVx4Keq
Name Dobutamine acetylated
Alternate Name(s) 4-[2-(acetyl{3-[4-(acetyloxy)phenyl]-1-methylpropyl}amino)ethyl]-2-(acetyloxy)phenyl acetate
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Formula C26H31NO7
InChI InChI=1S/C26H31NO7/c1-17(6-7-22-8-11-24(12-9-22)32-19(3)29)27(18(2)28)15-14-23-10-13-25(33-20(4)30)26(16-23)34-21(5)31/h8-13,16-17H,6-7,14-15H2,1-5H3
InChIKey ZDHFPRSLOCLTIW-UHFFFAOYSA-N
Molecular Weight 469.534 g/mol
SMILES C(N(CCc1cc(OC(=O)C)c(cc1)OC(=O)C)C(CCc1ccc(OC(=O)C)cc1)C)(=O)C
SPLASH splash10-08mi-1390000000-a187748db3f58e29a6b6
Source of Spectrum CJ-0-3-3565
Wiley ID 1392646