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Ebastine
SpectraBase Compound ID G5MpV1uwL0e
InChI InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
InChIKey MJJALKDDGIKVBE-UHFFFAOYSA-N
Mol Weight 469.7 g/mol
Molecular Formula C32H39NO2
Exact Mass 469.298079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVpSUnEUbl6
Name Ebastine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H39NO2
InChI InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
InChIKey MJJALKDDGIKVBE-UHFFFAOYSA-N
Molecular Weight 469.669 g/mol
SMILES C(OC1CCN(CC1)CCCC(c1ccc(C(C)(C)C)cc1)=O)(c1ccccc1)c1ccccc1
SPLASH splash10-014i-0930000000-91e186304c6bd1b13249
Source of Spectrum KO-23-387-1
Synonyms 1-(4-tert-butylphenyl)-4-[4-(diphenylmethyl)oxy-1-piperidinyl]-1-butanone 1-(4-tert-butylphenyl)-4-[4-(diphenylmethyl)oxypiperidin-1-yl]butan-1-one 4-(4-benzhydryloxy-1-piperidyl)-1-(4-tert-butylphenyl)butan-1-one 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one 4-(4-benzhydryloxypiperidino)-1-(4-tert-butylphenyl)butan-1-one
Wiley ID 747155