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Ambroxol AC
SpectraBase Compound ID 4JwMZaAUJa1
InChI InChI=1S/C15H20Br2N2O2/c1-9(20)21-13-4-2-12(3-5-13)19-8-10-6-11(16)7-14(17)15(10)18/h6-7,12-13,19H,2-5,8,18H2,1H3
InChIKey DZKHPWCTAQSMJO-UHFFFAOYSA-N
Mol Weight 420.15 g/mol
Molecular Formula C15H20Br2N2O2
Exact Mass 417.989154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AN10PBrCQ6h
Name Ambroxol AC
Classification Expectorant
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Exact Mass 417.989153890 u
Formula C15H20Br2N2O2
InChI InChI=1S/C15H20Br2N2O2/c1-9(20)21-13-4-2-12(3-5-13)19-8-10-6-11(16)7-14(17)15(10)18/h6-7,12-13,19H,2-5,8,18H2,1H3
InChIKey DZKHPWCTAQSMJO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 420.145 g/mol
SMILES c1c(cc(CNC2CCC(CC2)OC(C)=O)c(c1Br)N)Br
SPLASH splash10-01t9-3390000000-f55f8cca29aa11f23968
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.
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_2226