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Terfenadine
SpectraBase Compound ID D1NjBSKvHWR
InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
InChIKey GUGOEEXESWIERI-UHFFFAOYSA-N
Mol Weight 471.7 g/mol
Molecular Formula C32H41NO2
Exact Mass 471.31373 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 3QBRIySg5uq
Name Terfenadine MS2
CAS Registry Number 50679-08-8
Comments F: ITMS + c ESI d w Full ms2 472.38
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Formula C32H41NO2
InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
InChIKey GUGOEEXESWIERI-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(CCCN1CCC(C(O)(C=2C=CC=CC2)C=2C=CC=CC2)CC1)C1=CC=C(C=C1)C(C)(C)C
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS