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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 (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEfZ46DzLCx
Name Pyranocoumarin @
Classification Anticoagulant Rodenticide
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 322.120509056 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 322.360 g/mol
SMILES C12=C(c3c(cccc3)OC1=O)OC(OC)(C)CC2c1ccccc1
SPLASH splash10-00di-6794000000-714605e26ae63bfd70dd
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.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Cyclocumarol
Technique GC/MS
Wiley ID MMPW6e_4047