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7-(Benzyloxy)-5-methoxy-8-[4-[3-(methoxycarbonyl)pyridyl]]-2-methyl-4H-1-benzopyran-4-one
SpectraBase Compound ID LWXdMyhmsKv
InChI InChI=1S/C25H21NO6/c1-15-11-19(27)23-20(29-2)12-21(31-14-16-7-5-4-6-8-16)22(24(23)32-15)17-9-10-26-13-18(17)25(28)30-3/h4-13H,14H2,1-3H3
InChIKey NSZOLIBHZICNSZ-UHFFFAOYSA-N
Mol Weight 431.44 g/mol
Molecular Formula C25H21NO6
Exact Mass 431.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgvfZNz3vVU
Name 7-(Benzyloxy)-5-methoxy-8-[4-[3-(methoxycarbonyl)pyridyl]]-2-methyl-4H-1-benzopyran-4-one
CAS Registry Number 138459-43-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21NO6
InChI InChI=1S/C25H21NO6/c1-15-11-19(27)23-20(29-2)12-21(31-14-16-7-5-4-6-8-16)22(24(23)32-15)17-9-10-26-13-18(17)25(28)30-3/h4-13H,14H2,1-3H3
InChIKey NSZOLIBHZICNSZ-UHFFFAOYSA-N
Molecular Weight 431.444 g/mol
SMILES c12c(c(-c3c(C(=O)OC)cncc3)c(cc1OC)OCc1ccccc1)OC(=CC2=O)C
SPLASH splash10-0006-9000100000-b36e9329b50a29d02a26
Source of Spectrum J-57-1596-17
Synonyms methyl 4-[7-(benzyloxy)-5-methoxy-2-methyl-4-oxo-4H-chromen-8-yl]nicotinate
Wiley ID 1381992