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Prenylamine-M (HO-methoxy-) 2AC
SpectraBase Compound ID 38soOwe9P48
InChI InChI=1S/C29H33NO4/c1-21(19-24-11-7-5-8-12-24)30(22(2)31)18-17-27(25-13-9-6-10-14-25)26-15-16-28(34-23(3)32)29(20-26)33-4/h5-16,20-21,27H,17-19H2,1-4H3
InChIKey MDZBOQJVJNBXPY-UHFFFAOYSA-N
Mol Weight 459.6 g/mol
Molecular Formula C29H33NO4
Exact Mass 459.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdN7FcYXkSJ
Name Prenylamine-M (HO-methoxy-) 2AC
Classification Coronary dilator
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 459.240958543 u
Formula C29H33NO4
InChI InChI=1S/C29H33NO4/c1-21(19-24-11-7-5-8-12-24)30(22(2)31)18-17-27(25-13-9-6-10-14-25)26-15-16-28(34-23(3)32)29(20-26)33-4/h5-16,20-21,27H,17-19H2,1-4H3
InChIKey MDZBOQJVJNBXPY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 459.586 g/mol
SMILES c1cccc(c1)C(CCN(C(Cc1ccccc1)C)C(C)=O)c1ccc(c(c1)OC)OC(C)=O
SPLASH splash10-0a6r-8439000000-e2eb4384b0408a97caad
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_3404