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alanine, 3,3,3-trifluoro-N-(4-methoxybenzoyl)-2-[[3-(trifluoromethyl)-2-quinoxalinyl]amino]-, ethyl ester
SpectraBase Compound ID DB7E8tJeTuC
InChI InChI=1S/C22H18F6N4O4/c1-3-36-19(34)20(22(26,27)28,32-18(33)12-8-10-13(35-2)11-9-12)31-17-16(21(23,24)25)29-14-6-4-5-7-15(14)30-17/h4-11H,3H2,1-2H3,(H,30,31)(H,32,33)
InChIKey ZMJGTWLWDHMMBS-UHFFFAOYSA-N
Mol Weight 516.4 g/mol
Molecular Formula C22H18F6N4O4
Exact Mass 516.123224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jv7ZkXoLH25
Name Ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-([3-(trifluoromethyl)-2-quinoxalinyl]amino)propanoate
CAS Registry Number 312530-82-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18F6N4O4
InChI InChI=1S/C22H18F6N4O4/c1-3-36-19(34)20(22(26,27)28,32-18(33)12-8-10-13(35-2)11-9-12)31-17-16(21(23,24)25)29-14-6-4-5-7-15(14)30-17/h4-11H,3H2,1-2H3,(H,30,31)(H,32,33)
InChIKey ZMJGTWLWDHMMBS-UHFFFAOYSA-N
Molecular Weight 516.400 g/mol
SMILES N(c1c(nc2c(n1)cccc2)C(F)(F)F)C(NC(c1ccc(cc1)OC)=O)(C(F)(F)F)C(=O)OCC
SPLASH splash10-000i-2900000000-a28a987ed4e18bd14e62
Source of Spectrum AD-0-2532-0
Synonyms 3,3,3-trifluoro-2-(p-anisoylamino)-2-[[3-(trifluoromethyl)quinoxalin-2-yl]amino]propionic acid ethyl ester 3,3,3-trifluoro-2-[[(4-methoxyphenyl)-oxomethyl]amino]-2-[[3-(trifluoromethyl)-2-quinoxalinyl]amino]propanoic acid ethyl ester Alanine, 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-N-[3-(trifluoromethyl)-2-quinoxalinyl]-, ethyl ester Ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-[[3-(trifluoromethyl)quinoxalin-2-yl]amino]propanoate Ethyl 3,3,3-tris(fluoranyl)-2-[(4-methoxyphenyl)carbonylamino]-2-[[3-(trifluoromethyl)quinoxalin-2-yl]amino]propanoate
Wiley ID 1428121