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Isonicotinic acid, N'-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]hydrazide
SpectraBase Compound ID CKLKVEVJwrD
InChI InChI=1S/C19H20N4O4/c1-2-11-27-15-5-3-14(4-6-15)23-17(24)12-16(19(23)26)21-22-18(25)13-7-9-20-10-8-13/h3-10,16,21H,2,11-12H2,1H3,(H,22,25)
InChIKey QIURZBQRNSDQNO-UHFFFAOYSA-N
Mol Weight 368.39 g/mol
Molecular Formula C19H20N4O4
Exact Mass 368.148455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1YGEVgNaX2O
Name Isonicotinic acid, N'-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 368.148455136 u
Formula C19H20N4O4
InChI InChI=1S/C19H20N4O4/c1-2-11-27-15-5-3-14(4-6-15)23-17(24)12-16(19(23)26)21-22-18(25)13-7-9-20-10-8-13/h3-10,16,21H,2,11-12H2,1H3,(H,22,25)
InChIKey QIURZBQRNSDQNO-UHFFFAOYSA-N
Molecular Weight 368.393 g/mol
SMILES CCCOC1=CC=C(N2C(CC(C2=O)NNC(=O)C2=CC=NC=C2)=O)C=C1