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Bornaprine-M (HO-) isomer-1 AC
SpectraBase Compound ID 3K2hRO2B1Vr
InChI InChI=1S/C23H33NO4/c1-4-24(5-2)13-6-14-27-22(26)23(16-18-7-8-20(23)15-18)19-9-11-21(12-10-19)28-17(3)25/h9-12,18,20H,4-8,13-16H2,1-3H3
InChIKey NYOMMGKQVGKHQB-UHFFFAOYSA-N
Mol Weight 387.5 g/mol
Molecular Formula C23H33NO4
Exact Mass 387.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EKpwEQW8
Name Bornaprine-M (HO-) isomer-1 AC
Classification Antiparkinsonian
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 387.240958543 u
Formula C23H33NO4
InChI InChI=1S/C23H33NO4/c1-4-24(5-2)13-6-14-27-22(26)23(16-18-7-8-20(23)15-18)19-9-11-21(12-10-19)28-17(3)25/h9-12,18,20H,4-8,13-16H2,1-3H3
InChIKey NYOMMGKQVGKHQB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 387.520 g/mol
SMILES c1cc(OC(C)=O)ccc1C1(CC2CCC1C2)C(=O)OCCCN(CC)CC
SPLASH splash10-000i-9322000000-ffed43832c1837e6f636
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_1251