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Ambroxol -H2O 2AC
SpectraBase Compound ID 4eu0RHq6gqw
InChI InChI=1S/C17H20Br2N2O2/c1-11(22)20-17-13(8-14(18)9-16(17)19)10-21(12(2)23)15-6-4-3-5-7-15/h3-4,8-9,15H,5-7,10H2,1-2H3,(H,20,22)
InChIKey QJDLOLFJIKZZMG-UHFFFAOYSA-N
Mol Weight 444.17 g/mol
Molecular Formula C17H20Br2N2O2
Exact Mass 441.989154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eW8n5MzbwJ
Name Ambroxol -H2O 2AC
Classification Expectorant
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Exact Mass 441.989153890 u
Formula C17H20Br2N2O2
InChI InChI=1S/C17H20Br2N2O2/c1-11(22)20-17-13(8-14(18)9-16(17)19)10-21(12(2)23)15-6-4-3-5-7-15/h3-4,8-9,15H,5-7,10H2,1-2H3,(H,20,22)
InChIKey QJDLOLFJIKZZMG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 444.167 g/mol
SMILES c1c(Br)cc(CN(C2CC=CCC2)C(=O)C)c(NC(C)=O)c1Br
SPLASH splash10-0f6x-4239800000-b29ee84994eedcc71fc8
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
Technique GC/MS
Wiley ID MMPW6e_2227