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4-(4-acetoxyphenyl)-2-(N-acetyl-N-(2-(4-acetoxy-3-methoxyphenyl)ethyl)amino)butane
SpectraBase Compound ID BTxggCkLCRr
InChI InChI=1S/C25H31NO6/c1-17(6-7-21-8-11-23(12-9-21)31-19(3)28)26(18(2)27)15-14-22-10-13-24(32-20(4)29)25(16-22)30-5/h8-13,16-17H,6-7,14-15H2,1-5H3
InChIKey QTRDJIJSJVKPKW-UHFFFAOYSA-N
Mol Weight 441.52 g/mol
Molecular Formula C25H31NO6
Exact Mass 441.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZYM26BKs6K
Name Dobutamine-M (O-methyl-) 3AC
Classification Sympathomimetic
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Exact Mass 441.215137716 u
Formula C25H31NO6
InChI InChI=1S/C25H31NO6/c1-17(6-7-21-8-11-23(12-9-21)31-19(3)28)26(18(2)27)15-14-22-10-13-24(32-20(4)29)25(16-22)30-5/h8-13,16-17H,6-7,14-15H2,1-5H3
InChIKey QTRDJIJSJVKPKW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 441.524 g/mol
Related CAS Registry Number(s) 34368-04-2
SMILES c1(CCC(N(CCc2cc(OC)c(cc2)OC(C)=O)C(C)=O)C)ccc(OC(C)=O)cc1
SPLASH splash10-0pb9-7940000000-95e697bbe3d0f71b7653
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_2484