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3-(3-Bromo-phenyl)-2-trifluoromethanesulfonylamino-propionic acid methyl ester
SpectraBase Compound ID 6XcpZFTlvVD
InChI InChI=1S/C11H11BrF3NO4S/c1-20-10(17)9(16-21(18,19)11(13,14)15)6-7-3-2-4-8(12)5-7/h2-5,9,16H,6H2,1H3
InChIKey IBUJVXQZEBLUQU-UHFFFAOYSA-N
Mol Weight 390.17 g/mol
Molecular Formula C11H11BrF3NO4S
Exact Mass 388.954426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31V0UnxI5pg
Name 3-(3-Bromo-phenyl)-2-trifluoromethanesulfonylamino-propionic acid methyl ester
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Formula C11H11BrF3NO4S
InChI InChI=1S/C11H11BrF3NO4S/c1-20-10(17)9(16-21(18,19)11(13,14)15)6-7-3-2-4-8(12)5-7/h2-5,9,16H,6H2,1H3
InChIKey IBUJVXQZEBLUQU-UHFFFAOYSA-N
Molecular Weight 390.171 g/mol
SMILES N(S(C(F)(F)F)(=O)=O)C(C(=O)OC)Cc1cc(Br)ccc1
SPLASH splash10-014i-2910000000-a5f532b7a22faca3f3a0
Source of Spectrum KD-14-2925-21
Synonyms Methyl 3-(3-bromophenyl)-2-{[(trifluoromethyl)sulfonyl]amino}propanoate N-Trifluoromethanesulfonyl-3-bromophenylalanine methyl ester
Wiley ID 1636345