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Benzeneacetic acid, .alpha.-hydroxy-4-[[(methylamino)carbonyl]amino]-.alpha.-(trifluoromethyl)-, ethyl ester
SpectraBase Compound ID 4Y5imXKGjI0
InChI InChI=1S/C13H15F3N2O4/c1-3-22-10(19)12(21,13(14,15)16)8-4-6-9(7-5-8)18-11(20)17-2/h4-7,21H,3H2,1-2H3,(H2,17,18,20)
InChIKey YXSRHMQVPZUUSH-UHFFFAOYSA-N
Mol Weight 320.27 g/mol
Molecular Formula C13H15F3N2O4
Exact Mass 320.098391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B148167gDPU
Name Benzeneacetic acid, .alpha.-hydroxy-4-[[(methylamino)carbonyl]amino]-.alpha.-(trifluoromethyl)-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15F3N2O4
InChI InChI=1S/C13H15F3N2O4/c1-3-22-10(19)12(21,13(14,15)16)8-4-6-9(7-5-8)18-11(20)17-2/h4-7,21H,3H2,1-2H3,(H2,17,18,20)
InChIKey YXSRHMQVPZUUSH-UHFFFAOYSA-N
Molecular Weight 320.268 g/mol
SMILES OC(c1ccc(cc1)NC(NC)=O)(C(F)(F)F)C(OCC)=O
SPLASH splash10-00dm-1943000000-243c39e070c0139ab2f0
Source of Spectrum IY-2-4797-8
Synonyms Ethyl 3,3,3-trifluoro-2-hydroxy-2-{4-[(methylcarbamoyl)amino]phenyl}propanoate 3,3,3-trifluoro-2-hydroxy-2-[4-(methylcarbamoylamino)phenyl]propanoic acid ethyl ester Ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-(methylcarbamoylamino)phenyl]propanoate Ethyl 3,3,3-tris(fluoranyl)-2-[4-(methylcarbamoylamino)phenyl]-2-oxidanyl-propanoate
Wiley ID 1655961