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Quinine-M (HO-) 2AC
SpectraBase Compound ID GBqXYoX6hWz
InChI InChI=1S/C24H28N2O5/c1-5-18-16-9-11-26(24(18)31-15(3)28)22(12-16)23(30-14(2)27)19-8-10-25-21-7-6-17(29-4)13-20(19)21/h5-8,10,13,16,18,22-24H,1,9,11-12H2,2-4H3
InChIKey BVTNPRNXWVQFKY-UHFFFAOYSA-N
Mol Weight 424.5 g/mol
Molecular Formula C24H28N2O5
Exact Mass 424.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHrkkV6vzPr
Name Quinidine-M (HO-) 2AC
Classification Antiarrhythmic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 424.199822005 u
Formula C24H28N2O5
InChI InChI=1S/C24H28N2O5/c1-5-18-16-9-11-26(24(18)31-15(3)28)22(12-16)23(30-14(2)27)19-8-10-25-21-7-6-17(29-4)13-20(19)21/h5-8,10,13,16,18,22-24H,1,9,11-12H2,2-4H3
InChIKey BVTNPRNXWVQFKY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 424.497 g/mol
SMILES c1c2c(ccnc2ccc1OC)C(OC(C)=O)C1N2C(C(C(C1)CC2)C=C)OC(C)=O
SPLASH splash10-0100-0349400000-b794be66d9a3d048d85c
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_666