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4-Deuterio-4-(3,5-dimethyl-4-isoxazolyl)-2,6-dimethyl-1H-pyridine-3,5-dicarboxylic acid diethyl ester
SpectraBase Compound ID ICoDzi1zVul
InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h16,19H,7-8H2,1-6H3/i16D
InChIKey KHNYTFYQPKVXKP-QNLPYAOMSA-N
Mol Weight 349.41 g/mol
Molecular Formula C18H232DN2O5
Exact Mass 349.174799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7o05I9g948
Name 4-Deuterio-4-(3,5-dimethyl-4-isoxazolyl)-2,6-dimethyl-1H-pyridine-3,5-dicarboxylic acid diethyl ester
Alternate Name(s) 4-Deuterio-4-(3,5-dimethylisoxazol-4-yl)-2,6-dimethyl-1H-pyridine-3,5-dicarboxylic acid diethyl ester Diethyl 4-deuterio-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-1H-pyridine-3,5-dicarboxylate Diethyl 4-deuterio-4-(3,5-dimethylisoxazol-4-yl)-2,6-dimethyl-1H-pyridine-3,5-dicarboxylate
CAS Registry Number 114586-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23DN2O5
InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h16,19H,7-8H2,1-6H3/i16D
InChIKey KHNYTFYQPKVXKP-QNLPYAOMSA-N
Molecular Weight 349.405 g/mol
SMILES N1C(=C(C(C(=C1C)C(=O)OCC)(c1c(onc1C)C)[2D])C(=O)OCC)C
SPLASH splash10-0fbm-4492000000-03c957ef838a556b9141
Source of Spectrum Y-24-1431-4
Wiley ID 1340538