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Bisacodyl

View entire compound with spectra: 1 NMR, 3 FTIR, 1 Raman, 1 UV-Vis, and 11 MS (GC)

Bisacodyl
SpectraBase Compound ID J8J8m51N6u1
InChI InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3
InChIKey KHOITXIGCFIULA-UHFFFAOYSA-N
Mol Weight 361.4 g/mol
Molecular Formula C22H19NO4
Exact Mass 361.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6ZyR6WW8yI
Name BISACODYL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H19NO4
InChI InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3
InChIKey KHOITXIGCFIULA-UHFFFAOYSA-N
Instrument Name GC
Molecular Weight 361.397 g/mol
SMILES c1(ccc(C(c2ncccc2)c2ccc(OC(C)=O)cc2)cc1)OC(C)=O
SPLASH splash10-01t9-3596000000-dca6c7f87708abfbc5a2
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany