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3-Phenyl-2-trifluoromethanesulfonylamino-propionic acid methyl ester
SpectraBase Compound ID 1utJQwEtpRo
InChI InChI=1S/C11H12F3NO4S/c1-19-10(16)9(7-8-5-3-2-4-6-8)15-20(17,18)11(12,13)14/h2-6,9,15H,7H2,1H3
InChIKey AIJAEIPTPFRJFK-UHFFFAOYSA-N
Mol Weight 311.28 g/mol
Molecular Formula C11H12F3NO4S
Exact Mass 311.043914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2j1qMFSDP3k
Name 3-Phenyl-2-trifluoromethanesulfonylamino-propionic acid methyl ester
Alternate Name(s) Methyl 3-phenyl-2-{[(trifluoromethyl)sulfonyl]amino}propanoate N-Trifluoromethanesulfonylphenylalanine methyl ester
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Formula C11H12F3NO4S
InChI InChI=1S/C11H12F3NO4S/c1-19-10(16)9(7-8-5-3-2-4-6-8)15-20(17,18)11(12,13)14/h2-6,9,15H,7H2,1H3
InChIKey AIJAEIPTPFRJFK-UHFFFAOYSA-N
Molecular Weight 311.275 g/mol
SMILES N(S(C(F)(F)F)(=O)=O)C(C(=O)OC)Cc1ccccc1
SPLASH splash10-02t9-6910000000-51bd27f904ef3792306b
Source of Spectrum KD-14-2924-21
Wiley ID 1636350