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(2S)-[(2',2',2'-Trifluoroacetyl)amino]-succinic acid - 1-Benzyl ester
SpectraBase Compound ID 1zoUsZm2W4M
InChI InChI=1S/C13H12F3NO5/c14-13(15,16)12(21)17-9(6-10(18)19)11(20)22-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,17,21)(H,18,19)/t9-/m0/s1
InChIKey SHGAMKZQLZBVBQ-VIFPVBQESA-N
Mol Weight 319.24 g/mol
Molecular Formula C13H12F3NO5
Exact Mass 319.066757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPKVOzxYwfn
Name (2S)-[(2',2',2'-Trifluoroacetyl)amino]-succinic acid - 1-Benzyl ester
Alternate Name(s) (2S)-[(2',2',2'-Trifluoroacetyl)amino]-succinic acid - 4-Benzyl ester (S)-4-(benzyloxy)-4-oxo-3-(2,2,2-trifluoroacetamido)butanoic acid
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Formula C13H12F3NO5
InChI InChI=1S/C13H12F3NO5/c14-13(15,16)12(21)17-9(6-10(18)19)11(20)22-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,17,21)(H,18,19)/t9-/m0/s1
InChIKey SHGAMKZQLZBVBQ-VIFPVBQESA-N
Molecular Weight 319.236 g/mol
SMILES N(C(C(F)(F)F)=O)[C@@](CC(=O)O)(C(OCc1ccccc1)=O)[H]
SPLASH splash10-0a4i-0900000000-f94ca75affd7cdc54bef
Source of Spectrum F5-2-111-A
Wiley ID 1731650