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D-Erythro-2-pentulose, 1-deoxy-3,5-o-(phenylmethylene)-, (2,4-dinitrophenyl)hydrazone
SpectraBase Compound ID FzNjFaGIbj8
InChI InChI=1S/C18H18N4O7/c1-11(17-16(23)10-28-18(29-17)12-5-3-2-4-6-12)19-20-14-8-7-13(21(24)25)9-15(14)22(26)27/h2-9,16-18,20,23H,10H2,1H3/b19-11+/t16-,17+,18?/m0/s1
InChIKey DPQLLKREUYEOGR-MKTJDASGSA-N
Mol Weight 402.36 g/mol
Molecular Formula C18H18N4O7
Exact Mass 402.117549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5VLGlgDZCS
Name D-Erythro-2-pentulose, 1-deoxy-3,5-o-(phenylmethylene)-, (2,4-dinitrophenyl)hydrazone
Comments Computed using HOSE algorithm
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Exact Mass 402.117548929 u
Formula C18H18N4O7
InChI InChI=1S/C18H18N4O7/c1-11(17-16(23)10-28-18(29-17)12-5-3-2-4-6-12)19-20-14-8-7-13(21(24)25)9-15(14)22(26)27/h2-9,16-18,20,23H,10H2,1H3/b19-11+/t16-,17+,18?/m0/s1
InChIKey DPQLLKREUYEOGR-MKTJDASGSA-N
Molecular Weight 402.363 g/mol
SMILES C=1(N(=O)=O)C=C(N(=O)=O)C=CC1N\N=C\([C@]1(OC(C=2C=CC=CC2)OC[C@@]1(O)[H])[H])C