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5-(Acetoxy)-7-(benzyloxy)-6-[4-[3-(methoxycarbonyl)pyridyl]]-2-methyl-4H-1-benzopyran-4-one
SpectraBase Compound ID AR7dOtIui4A
InChI InChI=1S/C26H21NO7/c1-15-11-20(29)24-22(33-15)12-21(32-14-17-7-5-4-6-8-17)23(25(24)34-16(2)28)19-10-9-18(13-27-19)26(30)31-3/h4-13H,14H2,1-3H3
InChIKey HVRZXPWZTVXJNT-UHFFFAOYSA-N
Mol Weight 459.45 g/mol
Molecular Formula C26H21NO7
Exact Mass 459.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDxiBLiecs1
Name 5-(Acetoxy)-7-(benzyloxy)-6-[4-[3-(methoxycarbonyl)pyridyl]]-2-methyl-4H-1-benzopyran-4-one
CAS Registry Number 138459-46-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21NO7
InChI InChI=1S/C26H21NO7/c1-15-11-20(29)24-22(33-15)12-21(32-14-17-7-5-4-6-8-17)23(25(24)34-16(2)28)19-10-9-18(13-27-19)26(30)31-3/h4-13H,14H2,1-3H3
InChIKey HVRZXPWZTVXJNT-UHFFFAOYSA-N
Molecular Weight 459.454 g/mol
SMILES c12c(c(-c3ncc(cc3)C(=O)OC)c(cc1OC(C)=CC2=O)OCc1ccccc1)OC(=O)C
SPLASH splash10-052f-9004200000-0e3bb3566e4a72542b96
Source of Spectrum J-57-1596-20
Synonyms Methyl 6-[5-(acetyloxy)-7-(benzyloxy)-2-methyl-4-oxo-4H-chromen-6-yl]nicotinate
Wiley ID 1390239