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4,4'-[(2-pyridyl)methylene]diphenol
SpectraBase Compound ID 2lTzZXkQMyf
InChI InChI=1S/C18H15NO2/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(21)11-7-14/h1-12,18,20-21H
InChIKey LJROKJGQSPMTKB-UHFFFAOYSA-N
Mol Weight 277.32 g/mol
Molecular Formula C18H15NO2
Exact Mass 277.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHjC1y6AyDQ
Name Bisacodyl-M/A
CAS Registry Number 10040-34-3
Classification Pharmaceutical drug hydrolysate
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 277.110278725 u
Formula C18H15NO2
InChI InChI=1S/C18H15NO2/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(21)11-7-14/h1-12,18,20-21H
InChIKey LJROKJGQSPMTKB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 277.323 g/mol
Nominal Mass 277 u
Retention Index 2755
SMILES OC1=CC=C(C(C2=CC=C(C=C2)O)C2=NC=CC=C2)C=C1
SPLASH splash10-004i-2980000000-ae92a80a3b0435581b90
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Bisacodyl diphenol 4-Hydroxy-[(4-hydroxyphenyl)pyridin-2-yl-methyl]phenyl
Technique GC/MS
Wiley ID DD2024_034264