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Bornaprine-M isomer-1 2AC
SpectraBase Compound ID Ev5iSXkcxJF
InChI InChI=1S/C23H31NO5/c1-4-24(16(2)25)12-5-13-28-22(27)23(15-18-6-7-20(23)14-18)19-8-10-21(11-9-19)29-17(3)26/h8-11,18,20H,4-7,12-15H2,1-3H3
InChIKey KDCHUBASHZWBCS-UHFFFAOYSA-N
Mol Weight 401.5 g/mol
Molecular Formula C23H31NO5
Exact Mass 401.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jMYtgt7xEM
Name Bornaprine-M isomer-3 2AC
Classification Antiparkinsonian
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 401.220223097 u
Formula C23H31NO5
InChI InChI=1S/C23H31NO5/c1-4-24(16(2)25)12-5-13-28-22(27)23(15-18-6-7-20(23)14-18)19-8-10-21(11-9-19)29-17(3)26/h8-11,18,20H,4-7,12-15H2,1-3H3
InChIKey KDCHUBASHZWBCS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 401.503 g/mol
SMILES c1cc(OC(C)=O)ccc1C1(CC2CCC1C2)C(=O)OCCCN(C(C)=O)CC
SPLASH splash10-0a6u-7900000000-005c4ba7671d46e45ac7
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: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Bornaprine-M (deethyl-HO-) isomer-3 2AC
Technique GC/MS
Wiley ID MMPW6e_918