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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 4UdUEsRgpqT
Name Bisacodyl
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. 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
SMILES c1(ccccn1)C(c1ccc(OC(=O)C)cc1)c1ccc(OC(=O)C)cc1
SPLASH splash10-02di-1797000000-919b17a34f788692ea71
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences