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Bambuterol TFA
SpectraBase Compound ID J05PC6vXjk3
InChI InChI=1S/C20H28F3N3O6/c1-19(2,3)24-11-15(32-16(27)20(21,22)23)12-8-13(30-17(28)25(4)5)10-14(9-12)31-18(29)26(6)7/h8-10,15,24H,11H2,1-7H3
InChIKey NLGKKKXIOFTOCL-UHFFFAOYSA-N
Mol Weight 463.45 g/mol
Molecular Formula C20H28F3N3O6
Exact Mass 463.19302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dlQZQyrBY
Name Bambuterol TFA
Classification Bronchodilator
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Exact Mass 463.193020117 u
Formula C20H28N3O6F3
InChI InChI=1S/C20H28F3N3O6/c1-19(2,3)24-11-15(32-16(27)20(21,22)23)12-8-13(30-17(28)25(4)5)10-14(9-12)31-18(29)26(6)7/h8-10,15,24H,11H2,1-7H3
InChIKey NLGKKKXIOFTOCL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 463.454 g/mol
SMILES c1c(cc(cc1OC(N(C)C)=O)C(OC(C(F)(F)F)=O)CNC(C)(C)C)OC(N(C)C)=O
SPLASH splash10-00di-9030000000-f30668b38b3774b83b1f
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_7553