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2-Methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-pyrano-[3,2-C]-chromen-5-one
SpectraBase Compound ID 4JfAT83e2Zb
InChI InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3
InChIKey ZGFASEKBKWVCGP-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4eEvxi1nYug
Name Cyclocumarol MS2
Comments F: ITMS + c ESI d w Full ms2 323.10
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Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3
InChIKey ZGFASEKBKWVCGP-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C1=C(C=CC=C1)C1C2=C(C3=C(OC2=O)C=CC=C3)OC(OC)(C)C1
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS