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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 AdF1inFriko
Name Bisacodyl HY @
CAS Registry Number 10040-34-3
Classification Laxative
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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
SMILES C(c1ccc(cc1)O)(c1ccccn1)c1ccc(cc1)O
SPLASH splash10-004i-4890000000-7e4a82c1419f2da5bf73
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: UHY
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Bisacodyl-M (bis-deacetyl-) Picosulfate-M (bis-phenol)
Technique GC/MS
Wiley ID MMPW6e_107