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Pentoxyverine-M/artifact (HOOC-) ME
SpectraBase Compound ID 6Y8kHAK77F5
InChI InChI=1S/C13H16O2/c1-15-12(14)13(9-5-6-10-13)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey GIBVXUDPIGVGMR-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUNABfTR06e
Name Pentoxyverine-M/artifact (HOOC-) ME
Classification Antitussive
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Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-15-12(14)13(9-5-6-10-13)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey GIBVXUDPIGVGMR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 204.269 g/mol
SMILES C1CCC(C(OC)=O)(C1)c1ccccc1
SPLASH splash10-0002-4900000000-45549fc0226858573591
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_6483