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3-Benzyl-2-[(4-hydroxybenzyl)amido]-5-(2,3-difluoro-4-hydroxyphenyl)pyrazine
SpectraBase Compound ID 6K1ituyJEfY
InChI InChI=1S/C25H19F2N3O3/c26-23-18(10-11-21(32)24(23)27)20-14-28-25(19(29-20)12-15-4-2-1-3-5-15)30-22(33)13-16-6-8-17(31)9-7-16/h1-11,14,31-32H,12-13H2,(H,28,30,33)
InChIKey YALSLWXUUCTIOC-UHFFFAOYSA-N
Mol Weight 447.44 g/mol
Molecular Formula C25H19F2N3O3
Exact Mass 447.139448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4ETnKVD6OO
Name 3-Benzyl-2-[(4-hydroxybenzyl)amido]-5-(2,3-difluoro-4-hydroxyphenyl)pyrazine
Alternate Name(s) 3-Benzyl-2-[(4-hydroxybenzyl)amido]-5-(2,3-difluoro-4-hydroxyphenyl)pyrazin-3-one N-[3-benzyl-5-(2,3-difluoro-4-hydroxyphenyl)-2-pyrazinyl]-2-(4-hydroxyphenyl)acetamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19F2N3O3
InChI InChI=1S/C25H19F2N3O3/c26-23-18(10-11-21(32)24(23)27)20-14-28-25(19(29-20)12-15-4-2-1-3-5-15)30-22(33)13-16-6-8-17(31)9-7-16/h1-11,14,31-32H,12-13H2,(H,28,30,33)
InChIKey YALSLWXUUCTIOC-UHFFFAOYSA-N
Molecular Weight 447.442 g/mol
SMILES Oc1c(c(c(-c2cnc(c(n2)Cc2ccccc2)NC(Cc2ccc(cc2)O)=O)cc1)F)F
SPLASH splash10-03dj-0009500000-6102b473af91576cff4b
Source of Spectrum AT-39-5544-2
Wiley ID 854231