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Pentoxyverine-M (Desalkyl,AC)
SpectraBase Compound ID FNJtt1WgqIr
InChI InChI=1S/C20H29NO4/c1-3-21(17(2)22)13-14-24-15-16-25-19(23)20(11-7-8-12-20)18-9-5-4-6-10-18/h4-6,9-10H,3,7-8,11-16H2,1-2H3
InChIKey PPPROKQWJNBLCO-UHFFFAOYSA-N
Mol Weight 347.46 g/mol
Molecular Formula C20H29NO4
Exact Mass 347.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rqOC22xIe
Name Pentoxyverine-M (deethyl-) AC
Classification Antitussive
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Exact Mass 347.209658414 u
Formula C20H29NO4
InChI InChI=1S/C20H29NO4/c1-3-21(17(2)22)13-14-24-15-16-25-19(23)20(11-7-8-12-20)18-9-5-4-6-10-18/h4-6,9-10H,3,7-8,11-16H2,1-2H3
InChIKey PPPROKQWJNBLCO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 347.455 g/mol
SMILES C1CCC(C(OCCOCCN(CC)C(C)=O)=O)(C1)c1ccccc1
SPLASH splash10-0r03-8900000000-02da89edb7c38811fcd3
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: G U+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_6485