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Phenprocoumon-M (HO-) isomer-1 2ME
SpectraBase Compound ID 5uj2t8ZViD9
InChI InChI=1S/C20H20O4/c1-4-15(13-8-6-5-7-9-13)18-19(23-3)16-12-14(22-2)10-11-17(16)24-20(18)21/h5-12,15H,4H2,1-3H3
InChIKey HEIQRPQQSMFUAA-UHFFFAOYSA-N
Mol Weight 324.38 g/mol
Molecular Formula C20H20O4
Exact Mass 324.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9afGhbmyGJg
Name 2H-1-Benzopyran-2-one, 4,6-dimethoxy-3-(1-phenylpropyl)-
Alternate Name(s) 4,6-Dimethoxy-3-(1-phenylpropyl)coumarin 4,6-Dimethoxy-3-(1-phenylpropyl)-1-benzopyran-2-one
CAS Registry Number 96436-62-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O4
InChI InChI=1S/C20H20O4/c1-4-15(13-8-6-5-7-9-13)18-19(23-3)16-12-14(22-2)10-11-17(16)24-20(18)21/h5-12,15H,4H2,1-3H3
InChIKey HEIQRPQQSMFUAA-UHFFFAOYSA-N
Molecular Weight 324.376 g/mol
SMILES C1(=C(c2cc(OC)ccc2OC1=O)OC)C(c1ccccc1)CC
SPLASH splash10-0006-9441000000-9e2aa1100b02e47089bf
Source of Spectrum KO-12-69-0
Wiley ID 1323443