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Benzoic acid, 2-[[[[[4-chloro-6-(trifluoromethyl)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester

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Benzoic acid, 2-[[[[[4-chloro-6-(trifluoromethyl)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester
SpectraBase Compound ID 4ePWqBIpKeg
InChI InChI=1S/C14H10ClF3N4O5S/c1-27-11(23)7-4-2-3-5-8(7)28(25,26)22-13(24)21-12-19-9(14(16,17)18)6-10(15)20-12/h2-6H,1H3,(H2,19,20,21,22,24)
InChIKey SMAVERJKMOUNPW-UHFFFAOYSA-N
Mol Weight 438.77 g/mol
Molecular Formula C14H10ClF3N4O5S
Exact Mass 438.001253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Ql8NquhI1e
Name Benzoic acid, 2-[[[[[4-chloro-6-(trifluoromethyl)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester
CAS Registry Number 126655-42-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H10ClF3N4O5S
InChI InChI=1S/C14H10ClF3N4O5S/c1-27-11(23)7-4-2-3-5-8(7)28(25,26)22-13(24)21-12-19-9(14(16,17)18)6-10(15)20-12/h2-6H,1H3,(H2,19,20,21,22,24)
InChIKey SMAVERJKMOUNPW-UHFFFAOYSA-N
Instrument Name Bruker AM-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/DMSO-D6