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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 FWEHYioyG0E
Name Bisacodyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 361.397 g/mol
SMILES C(c1ncccc1)(c1ccc(cc1)OC(=O)C)c1ccc(cc1)OC(=O)C
SPLASH splash10-02dl-4976000000-46ad2668dc32eed12a67
Source of Spectrum SWG-33-1519-0
Synonyms Dulcolax (pyridin-2-ylmethylene)bis(4,1-phenylene) diacetate
Wiley ID 1809231