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3-(benzo[d][1,3]dioxol-5-yl)-7-methoxy-4-((4-methoxyphenyl)ethynyl)-2H-chromen-2-one
SpectraBase Compound ID 3U1Z7oVLAtj
InChI InChI=1S/C26H18O6/c1-28-18-7-3-16(4-8-18)5-10-21-20-11-9-19(29-2)14-23(20)32-26(27)25(21)17-6-12-22-24(13-17)31-15-30-22/h3-4,6-9,11-14H,15H2,1-2H3
InChIKey FZIFBFOXKIBDIT-UHFFFAOYSA-N
Mol Weight 426.42 g/mol
Molecular Formula C26H18O6
Exact Mass 426.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uGY8D3mylv
Name 3-(benzo[d][1,3]dioxol-5-yl)-7-methoxy-4-((4-methoxyphenyl)ethynyl)-2H-chromen-2-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H18O6
InChI InChI=1S/C26H18O6/c1-28-18-7-3-16(4-8-18)5-10-21-20-11-9-19(29-2)14-23(20)32-26(27)25(21)17-6-12-22-24(13-17)31-15-30-22/h3-4,6-9,11-14H,15H2,1-2H3
InChIKey FZIFBFOXKIBDIT-UHFFFAOYSA-N
Instrument Name Waters CAB155 GCT Premier
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202100279
Molecular Weight 426.424 g/mol
SMILES c1(OC)ccc2c(c1)OC(C(=C2C#Cc1ccc(cc1)OC)c1cc2c(cc1)OCO2)=O
SPLASH splash10-017i-7592400000-a987415b2f2999127cb2
Source of Spectrum AJO-10-SM89-4.3
Wiley ID 1866396