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Phenolphthalein 2ME
SpectraBase Compound ID FGcrOpBHYxX
InChI InChI=1S/C22H18O4/c1-24-17-11-7-15(8-12-17)22(16-9-13-18(25-2)14-10-16)20-6-4-3-5-19(20)21(23)26-22/h3-14H,1-2H3
InChIKey ACLVEZCDKFXULE-UHFFFAOYSA-N
Mol Weight 346.38 g/mol
Molecular Formula C22H18O4
Exact Mass 346.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 879vsEdWkqP
Name Phenolphthalein 2ME
Classification Laxative
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Exact Mass 346.120509056 u
Formula C22H18O4
InChI InChI=1S/C22H18O4/c1-24-17-11-7-15(8-12-17)22(16-9-13-18(25-2)14-10-16)20-6-4-3-5-19(20)21(23)26-22/h3-14H,1-2H3
InChIKey ACLVEZCDKFXULE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 346.382 g/mol
Related CAS Registry Number(s) 77-09-8
SMILES C1(c2ccccc2C(O1)=O)(c1ccc(cc1)OC)c1ccc(cc1)OC
SPLASH splash10-0uka-1398000000-eea52a08e3f1bfa28b16
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: UME
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_3078