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3-[2-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-1-azulenecarboxylic acid methyl ester
SpectraBase Compound ID 9qmBg4Dr6Xm
InChI InChI=1S/C20H19N3O3/c1-12-9-13(2)23-20(22-12)21-11-18(24)16-10-17(19(25)26-3)15-8-6-4-5-7-14(15)16/h4-10H,11H2,1-3H3,(H,21,22,23)
InChIKey YOYYHLFCNDEWNW-UHFFFAOYSA-N
Mol Weight 349.39 g/mol
Molecular Formula C20H19N3O3
Exact Mass 349.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXCjC6uMjY4
Name 3-[2-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-1-azulenecarboxylic acid methyl ester
Alternate Name(s) 3-[2-[(4,6-dimethylpyrimidin-2-yl)amino]acetyl]azulene-1-carboxylic acid methyl ester Methyl 3-[2-[(4,6-dimethylpyrimidin-2-yl)amino]acetyl]azulene-1-carboxylate Methyl 3-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanoyl]azulene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N3O3
InChI InChI=1S/C20H19N3O3/c1-12-9-13(2)23-20(22-12)21-11-18(24)16-10-17(19(25)26-3)15-8-6-4-5-7-14(15)16/h4-10H,11H2,1-3H3,(H,21,22,23)
InChIKey YOYYHLFCNDEWNW-UHFFFAOYSA-N
Molecular Weight 349.390 g/mol
SMILES N(CC(c1cc(c2c1ccccc2)C(=O)OC)=O)c1nc(cc(n1)C)C
SPLASH splash10-03dr-0593000000-13c27ee833559e018f3c
Source of Spectrum O1-59-366-7
Wiley ID 1591918