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Metoclopramide AC
SpectraBase Compound ID HFWGDxKwE9a
InChI InChI=1S/C16H24ClN3O3/c1-5-20(6-2)8-7-18-16(22)12-9-13(17)14(19-11(3)21)10-15(12)23-4/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,21)
InChIKey CUDFIXBYMDJBQT-UHFFFAOYSA-N
Mol Weight 341.84 g/mol
Molecular Formula C16H24ClN3O3
Exact Mass 341.150619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fChbuHF4EY
Name Metoclopramide AC
Classification Antiemetic
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Exact Mass 341.150619342 u
Formula C16H24ClN3O3
InChI InChI=1S/C16H24ClN3O3/c1-5-20(6-2)8-7-18-16(22)12-9-13(17)14(19-11(3)21)10-15(12)23-4/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,21)
InChIKey CUDFIXBYMDJBQT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 341.839 g/mol
SMILES c1c(C(=O)NCCN(CC)CC)c(OC)cc(NC(C)=O)c1Cl
SPLASH splash10-000i-9100000000-3e870204a6bb30ca6c4a
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: PAC 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_1126