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Phenolphthalein-M (methoxy-) 2AC
SpectraBase Compound ID BhEjeW16Sm1
InChI InChI=1S/C25H20O7/c1-15(26)30-19-11-8-17(9-12-19)25(21-7-5-4-6-20(21)24(28)32-25)18-10-13-22(31-16(2)27)23(14-18)29-3/h4-14H,1-3H3
InChIKey SJRHKABYJIWRQO-UHFFFAOYSA-N
Mol Weight 432.43 g/mol
Molecular Formula C25H20O7
Exact Mass 432.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRsGUTqC2N4
Name Phenolphthalein-M (methoxy-) 2AC
Classification Laxative
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Exact Mass 432.120902977 u
Formula C25H20O7
InChI InChI=1S/C25H20O7/c1-15(26)30-19-11-8-17(9-12-19)25(21-7-5-4-6-20(21)24(28)32-25)18-10-13-22(31-16(2)27)23(14-18)29-3/h4-14H,1-3H3
InChIKey SJRHKABYJIWRQO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 432.428 g/mol
SMILES c1cc2C(OC(c2cc1)(c1ccc(cc1)OC(C)=O)c1cc(c(OC(C)=O)cc1)OC)=O
SPLASH splash10-006x-0159000000-04fe2994bfe46592d420
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: UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3402