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Fexofenadine 2TMS
SpectraBase Compound ID AVNbblHckue
InChI InChI=1S/C38H55NO4Si2/c1-37(2,36(41)42-44(3,4)5)31-23-21-30(22-24-31)35(40)20-15-27-39-28-25-34(26-29-39)38(43-45(6,7)8,32-16-11-9-12-17-32)33-18-13-10-14-19-33/h9-14,16-19,21-24,34-35,40H,15,20,25-29H2,1-8H3
InChIKey QFPBQVJLGLJTTC-UHFFFAOYSA-N
Mol Weight 646.0 g/mol
Molecular Formula C38H55NO4Si2
Exact Mass 645.366962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65wyUnglfeR
Name Fexofenadine 2TMS
Classification Antihistamine
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Exact Mass 645.366962321 u
Formula C38H55NO4Si2
InChI InChI=1S/C38H55NO4Si2/c1-37(2,36(41)42-44(3,4)5)31-23-21-30(22-24-31)35(40)20-15-27-39-28-25-34(26-29-39)38(43-45(6,7)8,32-16-11-9-12-17-32)33-18-13-10-14-19-33/h9-14,16-19,21-24,34-35,40H,15,20,25-29H2,1-8H3
InChIKey QFPBQVJLGLJTTC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 646.031 g/mol
Related CAS Registry Number(s) 83799-24-0
SMILES c1cc(C(C2CCN(CCCC(O)c3ccc(cc3)C(C(=O)O[Si](C)(C)C)(C)C)CC2)(c2ccccc2)O[Si](C)(C)C)ccc1
SPLASH splash10-00e9-9440001000-437f151f8e0b1150254b
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_7731