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PRAECANSONE-B
SpectraBase Compound ID 3Zb0tlxBI41
InChI InChI=1S/C22H22O5/c1-22(2)11-10-15-18(27-22)13-19(25-3)20(21(15)26-4)17(24)12-16(23)14-8-6-5-7-9-14/h5-13,23H,1-4H3/b16-12-
InChIKey TUJSKSRZFNAELN-VBKFSLOCSA-N
Mol Weight 366.41 g/mol
Molecular Formula C22H22O5
Exact Mass 366.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrOuzgq6DvP
Name (Z)-1-(5,7-dimethoxy-2,2-dimethyl-1-benzopyran-6-yl)-3-hydroxy-3-phenyl-2-propen-1-one
CAS Registry Number 74517-75-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O5
InChI InChI=1S/C22H22O5/c1-22(2)11-10-15-18(27-22)13-19(25-3)20(21(15)26-4)17(24)12-16(23)14-8-6-5-7-9-14/h5-13,23H,1-4H3/b16-12-
InChIKey TUJSKSRZFNAELN-VBKFSLOCSA-N
Molecular Weight 366.413 g/mol
SMILES O\C(=C/C(c1c(c2C=CC(Oc2cc1OC)(C)C)OC)=O)c1ccccc1
SPLASH splash10-0udr-0039000000-c225d2465c4a99c488cc
Source of Spectrum KC-1987-2726-2
Synonyms (Z)-1-(5,7-dimethoxy-2,2-dimethyl-chromen-6-yl)-3-hydroxy-3-phenyl-prop-2-en-1-one (Z)-1-(5,7-dimethoxy-2,2-dimethyl-chromen-6-yl)-3-oxidanyl-3-phenyl-prop-2-en-1-one Praecansone B
Wiley ID 1352131