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Benzoic acid, 3-hydroxy-6-[methyl(trifluoroacetyl)amino]-2-nitro-, methyl ester
SpectraBase Compound ID 4jvDtJjolDW
InChI InChI=1S/C11H9F3N2O6/c1-15(10(19)11(12,13)14)5-3-4-6(17)8(16(20)21)7(5)9(18)22-2/h3-4,17H,1-2H3
InChIKey SFQGCRBZJUQZMQ-UHFFFAOYSA-N
Mol Weight 322.2 g/mol
Molecular Formula C11H9F3N2O6
Exact Mass 322.041271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81mf8zkcFGM
Name Benzoic acid, 3-hydroxy-6-[methyl(trifluoroacetyl)amino]-2-nitro-, methyl ester
CAS Registry Number 135006-40-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9F3N2O6
InChI InChI=1S/C11H9F3N2O6/c1-15(10(19)11(12,13)14)5-3-4-6(17)8(16(20)21)7(5)9(18)22-2/h3-4,17H,1-2H3
InChIKey SFQGCRBZJUQZMQ-UHFFFAOYSA-N
Molecular Weight 322.196 g/mol
SMILES Oc1c(c(c(N(C(C(F)(F)F)=O)C)cc1)C(=O)OC)N(=O)=O
SPLASH splash10-03di-0962000000-ebafd62cf42cdbf3ff09
Source of Spectrum C-113-5352-62
Synonyms Methyl 3-hydroxy-6-(N-methltrifluoroacetamido)-2-nitrobenzoate Methyl 3-hydroxy-6-[methyl(trifluoroacetyl)amino]-2-nitrobenzoate
Wiley ID 1321226