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METHYL-(6R*,1'S*)-5-ETHYLOXYCARBONYL-6-(1'-PHENYL-2'-NITRO-ETHYL)-4,5,6,7-TETRAHYDRO-3H-IMIDAZO-[4,5-C]-PYRIDIN-6-CARBOXYLATE
SpectraBase Compound ID Azv3u2yzfax
InChI InChI=1S/C19H22N4O6/c1-3-29-18(25)22-11-16-15(20-12-21-16)9-19(22,17(24)28-2)14(10-23(26)27)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,20,21)/t14-,19-/m1/s1
InChIKey SVXBFSKSWSCTKS-AUUYWEPGSA-N
Mol Weight 402.41 g/mol
Molecular Formula C19H22N4O6
Exact Mass 402.153934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYXjB3Lahlw
Name (6R)-6-[(1S)-2-nitro-1-phenyl-ethyl]-4,7-dihydro-3H-imidazo[4,5-c]pyridine-5,6-dicarboxylic acid O5-ethyl ester O6-methyl ester
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Formula C19H22N4O6
InChI InChI=1S/C19H22N4O6/c1-3-29-18(25)22-11-16-15(20-12-21-16)9-19(22,17(24)28-2)14(10-23(26)27)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,20,21)/t14-,19-/m1/s1
InChIKey SVXBFSKSWSCTKS-AUUYWEPGSA-N
Molecular Weight 402.407 g/mol
SMILES [nH]1cnc2c1CN([C@](C2)([C@](CN(=O)=O)(c1ccccc1)[H])C(=O)OC)C(=O)OCC
SPLASH splash10-0fl3-4960000000-03aabe4c862a25ec8d49
Source of Spectrum Y-40-921-7
Synonyms 5-O-ethyl 6-O-methyl (6R)-6-[(1S)-2-nitro-1-phenylethyl]-4,7-dihydro-3H-imidazo[4,5-c]pyridine-5,6-dicarboxylate O5-ethyl O6-methyl (6R)-6-[(1S)-2-nitro-1-phenyl-ethyl]-4,7-dihydro-3H-imidazo[4,5-c]pyridine-5,6-dicarboxylate
Wiley ID 1529038