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Ambroxol 3AC
SpectraBase Compound ID FjONWTNMyRK
InChI InChI=1S/C19H24Br2N2O4/c1-11(24)22-19-14(8-15(20)9-18(19)21)10-23(12(2)25)16-4-6-17(7-5-16)27-13(3)26/h8-9,16-17H,4-7,10H2,1-3H3,(H,22,24)
InChIKey NEQMXLVZDNXDQT-UHFFFAOYSA-N
Mol Weight 504.22 g/mol
Molecular Formula C19H24Br2N2O4
Exact Mass 502.010283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7EgMpg7luT
Name Ambroxol 3AC
Classification Expectorant
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Exact Mass 502.010283257 u
Formula C19H24Br2N2O4
InChI InChI=1S/C19H24Br2N2O4/c1-11(24)22-19-14(8-15(20)9-18(19)21)10-23(12(2)25)16-4-6-17(7-5-16)27-13(3)26/h8-9,16-17H,4-7,10H2,1-3H3,(H,22,24)
InChIKey NEQMXLVZDNXDQT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 504.219 g/mol
SMILES c1c(Br)cc(CN(C2CCC(CC2)OC(=O)C)C(=O)C)c(NC(C)=O)c1Br
SPLASH splash10-03di-2278900000-c9f17452c5c5b227c3ba
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_2228