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Terfenadine -2H2O
SpectraBase Compound ID PYpSxUmIxD
InChI InChI=1S/C32H37N/c1-32(2,3)30-19-17-26(18-20-30)12-10-11-23-33-24-21-29(22-25-33)31(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-10,12-20H,11,21-25H2,1-3H3/b12-10-
InChIKey XTBJPNHHVAIUJX-BENRWUELSA-N
Mol Weight 435.7 g/mol
Molecular Formula C32H37N
Exact Mass 435.2926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2I4zTCq5A9I
Name Terfenadine -2H2O
Classification Antihistamine
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Exact Mass 435.292600195 u
Formula C32H37N
InChI InChI=1S/C32H37N/c1-32(2,3)30-19-17-26(18-20-30)12-10-11-23-33-24-21-29(22-25-33)31(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-10,12-20H,11,21-25H2,1-3H3/b12-10-
InChIKey XTBJPNHHVAIUJX-BENRWUELSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 435.655 g/mol
SMILES C(C\C=C/c1ccc(cc1)C(C)(C)C)N1CCC(=C(c2ccccc2)c2ccccc2)CC1
SPLASH splash10-03di-2390000000-e462c5480c5a9d9dd6f8
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_2235