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3-(4-isopropoxyphenyl)-7-methoxy-4-(p-tolylethynyl)-2H-chromen-2-one
SpectraBase Compound ID 5Pc9WhXm6T5
InChI InChI=1S/C28H24O4/c1-18(2)31-22-12-10-21(11-13-22)27-25(15-9-20-7-5-19(3)6-8-20)24-16-14-23(30-4)17-26(24)32-28(27)29/h5-8,10-14,16-18H,1-4H3
InChIKey ZNGFAJVROJBKNY-UHFFFAOYSA-N
Mol Weight 424.5 g/mol
Molecular Formula C28H24O4
Exact Mass 424.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrHWXzyYw1F
Name 3-(4-isopropoxyphenyl)-7-methoxy-4-(p-tolylethynyl)-2H-chromen-2-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24O4
InChI InChI=1S/C28H24O4/c1-18(2)31-22-12-10-21(11-13-22)27-25(15-9-20-7-5-19(3)6-8-20)24-16-14-23(30-4)17-26(24)32-28(27)29/h5-8,10-14,16-18H,1-4H3
InChIKey ZNGFAJVROJBKNY-UHFFFAOYSA-N
Instrument Name Waters CAB155 GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100279
Molecular Weight 424.496 g/mol
SMILES c1(OC)ccc2c(c1)OC(C(=C2C#Cc1ccc(cc1)C)c1ccc(cc1)OC(C)C)=O
SPLASH splash10-008l-5279300000-a3ed6d93b1007464ae9f
Source of Spectrum AJO-10-SM90-4.6
Wiley ID 1866399