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Giganticine

View entire compound with spectra: 1 MS (GC)

Giganticine
SpectraBase Compound ID 3WyCCgaGvXC
InChI InChI=1S/C13H16N2O5/c1-3-20-13(19)15-10-6-4-9(5-7-10)11(12(17)18)14-8(2)16/h4-7,11H,3H2,1-2H3,(H,14,16)(H,15,19)(H,17,18)/t11-/m0/s1
InChIKey LXZCEJOKBHKJLM-NSHDSACASA-N
Mol Weight 280.28 g/mol
Molecular Formula C13H16N2O5
Exact Mass 280.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EiSaDnyniVe
Name Giganticine
Alternate Name(s) (2S)-2-acetamido-2-[4-(ethoxycarbonylamino)phenyl]acetic acid (2S)-2-acetamido-2-[4-(ethoxycarbonylamino)phenyl]ethanoic acid
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Formula C13H16N2O5
InChI InChI=1S/C13H16N2O5/c1-3-20-13(19)15-10-6-4-9(5-7-10)11(12(17)18)14-8(2)16/h4-7,11H,3H2,1-2H3,(H,14,16)(H,15,19)(H,17,18)/t11-/m0/s1
InChIKey LXZCEJOKBHKJLM-NSHDSACASA-N
Molecular Weight 280.280 g/mol
SMILES OC([C@](c1ccc(NC(=O)OCC)cc1)(NC(=O)C)[H])=O
SPLASH splash10-0a6r-0910000000-5865204186e171e541a1
Source of Spectrum G4-61-103-1
Wiley ID 1607073