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1-Methyl hydrogen N-benzyloxycarbonyl-2-trifluoromethylaspartate
SpectraBase Compound ID 7Lkdz7lx7E
InChI InChI=1S/C14H14F3NO6/c1-23-11(21)13(7-10(19)20,14(15,16)17)18-12(22)24-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,18,22)(H,19,20)
InChIKey MAVCZFKRDFLDSR-UHFFFAOYSA-N
Mol Weight 349.26 g/mol
Molecular Formula C14H14F3NO6
Exact Mass 349.077322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6neDg4Gl3w3
Name 1-Methyl hydrogen N-benzyloxycarbonyl-2-trifluoromethylaspartate
Alternate Name(s) 3-{[(benzyloxy)carbonyl]amino}-4,4,4-trifluoro-3-(methoxycarbonyl)butanoic acid
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Formula C14H14F3NO6
InChI InChI=1S/C14H14F3NO6/c1-23-11(21)13(7-10(19)20,14(15,16)17)18-12(22)24-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,18,22)(H,19,20)
InChIKey MAVCZFKRDFLDSR-UHFFFAOYSA-N
Molecular Weight 349.262 g/mol
SMILES OC(CC(C(F)(F)F)(NC(=O)OCc1ccccc1)C(=O)OC)=O
SPLASH splash10-052f-9500000000-f9990732d37c2fee4e66
Source of Spectrum KC-1992-271-13
Wiley ID 776010