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2-[5-carbethoxy-2,6-bis(trifluoromethyl)pyrimidin-4-yl]malonic acid diethyl ester
SpectraBase Compound ID IdTvYPk7G25
InChI InChI=1S/C16H16F6N2O6/c1-4-28-11(25)7-9(8(12(26)29-5-2)13(27)30-6-3)23-14(16(20,21)22)24-10(7)15(17,18)19/h8H,4-6H2,1-3H3
InChIKey OIYCKHODZNKLET-UHFFFAOYSA-N
Mol Weight 446.3 g/mol
Molecular Formula C16H16F6N2O6
Exact Mass 446.091255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQrW6gdG9RJ
Name 2-[5-carbethoxy-2,6-bis(trifluoromethyl)pyrimidin-4-yl]malonic acid diethyl ester
CAS Registry Number 121562-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16F6N2O6
InChI InChI=1S/C16H16F6N2O6/c1-4-28-11(25)7-9(8(12(26)29-5-2)13(27)30-6-3)23-14(16(20,21)22)24-10(7)15(17,18)19/h8H,4-6H2,1-3H3
InChIKey OIYCKHODZNKLET-UHFFFAOYSA-N
Molecular Weight 446.302 g/mol
SMILES c1(c(nc(nc1C(F)(F)F)C(F)(F)F)C(C(=O)OCC)C(=O)OCC)C(=O)OCC
SPLASH splash10-00di-0009000000-6833af170f3a65881a11
Source of Spectrum Y-26-9-11
Synonyms 2-[5-ethoxycarbonyl-2,6-bis(trifluoromethyl)-4-pyrimidinyl]propanedioic acid diethyl ester Diethyl 2-[5-ethoxycarbonyl-2,6-bis(trifluoromethyl)pyrimidin-4-yl]propanedioate
Wiley ID 1386454