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Pseudoephedrine 2PFP
SpectraBase Compound ID BqxlgjPIfAZ
InChI InChI=1S/C16H13F10NO3/c1-8(27(2)11(28)13(17,18)15(21,22)23)10(9-6-4-3-5-7-9)30-12(29)14(19,20)16(24,25)26/h3-8,10H,1-2H3
InChIKey HAQQDHLYHSZNEW-UHFFFAOYSA-N
Mol Weight 457.27 g/mol
Molecular Formula C16H13F10NO3
Exact Mass 457.073575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2x9afb6X9M2
Name Pseudoephedrine 2PFP
Classification Bronchodilator
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Exact Mass 457.073574910 u
Formula C16H13F10NO3
InChI InChI=1S/C16H13F10NO3/c1-8(27(2)11(28)13(17,18)15(21,22)23)10(9-6-4-3-5-7-9)30-12(29)14(19,20)16(24,25)26/h3-8,10H,1-2H3
InChIKey HAQQDHLYHSZNEW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 457.268 g/mol
SMILES C(=O)(N(C(C(c1ccccc1)OC(C(C(F)(F)F)(F)F)=O)C)C)C(F)(C(F)(F)F)F
SPLASH splash10-0udi-4690000000-5b97987f96543e69b429
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_2578