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Terfenadine AC
SpectraBase Compound ID FyD4YxgV83u
InChI InChI=1S/C34H43NO3/c1-26(36)38-32(27-17-19-28(20-18-27)33(2,3)4)16-11-23-35-24-21-31(22-25-35)34(37,29-12-7-5-8-13-29)30-14-9-6-10-15-30/h5-10,12-15,17-20,31-32,37H,11,16,21-25H2,1-4H3
InChIKey JKPABXLWBVGPQP-UHFFFAOYSA-N
Mol Weight 513.7 g/mol
Molecular Formula C34H43NO3
Exact Mass 513.324294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PVW0hevIBJ
Name Terfenadine AC
Classification Antihistamine
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Exact Mass 513.324294246 u
Formula C34H43NO3
InChI InChI=1S/C34H43NO3/c1-26(36)38-32(27-17-19-28(20-18-27)33(2,3)4)16-11-23-35-24-21-31(22-25-35)34(37,29-12-7-5-8-13-29)30-14-9-6-10-15-30/h5-10,12-15,17-20,31-32,37H,11,16,21-25H2,1-4H3
InChIKey JKPABXLWBVGPQP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 513.722 g/mol
SMILES C(CCC(OC(=O)C)c1ccc(cc1)C(C)(C)C)N1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
SPLASH splash10-001i-7490000000-7fe34beb6d2c863ee740
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_2236