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Quinine-M (di-HO-dihydro-) 3AC
SpectraBase Compound ID 5OqswuVkadf
InChI InChI=1S/C26H32N2O7/c1-15(29)33-12-9-20-18-8-11-28(26(20)35-17(3)31)24(13-18)25(34-16(2)30)21-7-10-27-23-6-5-19(32-4)14-22(21)23/h5-7,10,14,18,20,24-26H,8-9,11-13H2,1-4H3
InChIKey MUUKNMSFQADGFO-UHFFFAOYSA-N
Mol Weight 484.5 g/mol
Molecular Formula C26H32N2O7
Exact Mass 484.220951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QUeaFkVxMC
Name Quinidine-M (di-HO-dihydro-) 3AC
Classification Antiarrhythmic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 484.220951371 u
Formula C26H32N2O7
InChI InChI=1S/C26H32N2O7/c1-15(29)33-12-9-20-18-8-11-28(26(20)35-17(3)31)24(13-18)25(34-16(2)30)21-7-10-27-23-6-5-19(32-4)14-22(21)23/h5-7,10,14,18,20,24-26H,8-9,11-13H2,1-4H3
InChIKey MUUKNMSFQADGFO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 484.549 g/mol
SMILES c1c2c(ccnc2ccc1OC)C(C1N2C(C(C(C1)CC2)CCOC(C)=O)OC(C)=O)OC(C)=O
SPLASH splash10-0059-3747900000-fac3d0e5a86d147ea631
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_667