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Perhexiline-M (HO-) 2AC
SpectraBase Compound ID 5a99fan4EFb
InChI InChI=1S/C23H39NO3/c1-17(25)24-15-7-6-10-21(24)16-23(19-8-4-3-5-9-19)20-11-13-22(14-12-20)27-18(2)26/h19-23H,3-16H2,1-2H3
InChIKey CYHCKYIWZWYGTF-UHFFFAOYSA-N
Mol Weight 377.6 g/mol
Molecular Formula C23H39NO3
Exact Mass 377.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tMfcNV0cUI
Name Perhexiline-M (HO-) 2AC
Classification Ca Antagonist
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 377.292994117 u
Formula C23H39NO3
InChI InChI=1S/C23H39NO3/c1-17(25)24-15-7-6-10-21(24)16-23(19-8-4-3-5-9-19)20-11-13-22(14-12-20)27-18(2)26/h19-23H,3-16H2,1-2H3
InChIKey CYHCKYIWZWYGTF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 377.569 g/mol
SMILES C1CC(OC(C)=O)CCC1C(CC1CCCCN1C(C)=O)C1CCCCC1
SPLASH splash10-0059-7900000000-71a51073f468fd7c258c
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_3399