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(2S)-[(2',2',2'-Trifluoroacetyl)amino]-succinic acid - -1-(2'',5''-Dioxopyrrolidin-1''-yl) ester - 4-Benzyl ester
SpectraBase Compound ID Ncm9PHGWqQ
InChI InChI=1S/C17H15F3N2O7/c18-17(19,20)16(27)21-11(15(26)29-22-12(23)6-7-13(22)24)8-14(25)28-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,21,27)/t11-/m0/s1
InChIKey ACZDUIRQBXYLGN-NSHDSACASA-N
Mol Weight 416.31 g/mol
Molecular Formula C17H15F3N2O7
Exact Mass 416.083135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gsb7OLgW5Zd
Name (2S)-[(2',2',2'-Trifluoroacetyl)amino]-succinic acid - -1-(2'',5''-Dioxopyrrolidin-1''-yl) ester - 4-Benzyl ester
Alternate Name(s) (S)-4-benzyl 1-(2,5-dioxopyrrolidin-1-yl) 2-(2,2,2-trifluoroacetamido)succinate (2S)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]butanedioic acid O1-(2,5-dioxo-1-pyrrolidinyl) ester O4-(phenylmethyl) ester 4-O-benzyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2,2,2-trifluoroacetyl)amino]butanedioate O4-benzyl O1-(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2,2,2-trifluoroacetyl)amino]butanedioate O1-[2,5-bis(oxidanylidene)pyrrolidin-1-yl] O4-(phenylmethyl) (2S)-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanedioate
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Formula C17H15F3N2O7
InChI InChI=1S/C17H15F3N2O7/c18-17(19,20)16(27)21-11(15(26)29-22-12(23)6-7-13(22)24)8-14(25)28-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,21,27)/t11-/m0/s1
InChIKey ACZDUIRQBXYLGN-NSHDSACASA-N
Molecular Weight 416.309 g/mol
SMILES N(C(C(F)(F)F)=O)[C@](C(ON1C(CCC1=O)=O)=O)(CC(=O)OCc1ccccc1)[H]
SPLASH splash10-0a4i-0900100000-96c26f7dac9023f0d907
Source of Spectrum F5-2-111-B
Wiley ID 1731649