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Astemizole
SpectraBase Compound ID LjHTj3AZCzE
InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
InChIKey GXDALQBWZGODGZ-UHFFFAOYSA-N
Mol Weight 458.58 g/mol
Molecular Formula C28H31FN4O
Exact Mass 458.24819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPuyBLaUS1X
Name Astemizole
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C28H31FN4O
InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
InChIKey GXDALQBWZGODGZ-UHFFFAOYSA-N
SMILES N(c1[n](c2ccccc2n1)Cc1ccc(cc1)F)C1CCN(CCc2ccc(OC)cc2)CC1
SPLASH splash10-0002-9412000000-6f529c8f6286c92bd5e4
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences