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5-[Cyano(5-methoxycarbonylpyrrolidin-2-ylidene)methyl]-3,4-dihydro-2H-pyrrole-2-carboxylic acid, methyl ester
SpectraBase Compound ID CecalX2Ur5i
InChI InChI=1S/C10H15N3.2C2H4O2/c11-7-8(9-3-1-5-12-9)10-4-2-6-13-10;2*1-4-2-3/h8-9,12H,1-6H2;2*2H,1H3
InChIKey ZCJYPZADSZVGRM-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C14H23N3O4
Exact Mass 297.168856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IdJqWViZGP2
Name 5-[Cyano-(5-methoxycarbonylpyrrolidin-2-ylidene)methyl]-3,4-dihydro-2H-pyrrole-2-carboxylic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 297.168856229 u
Formula C14H23N3O4
InChI InChI=1S/C10H15N3.2C2H4O2/c11-7-8(9-3-1-5-12-9)10-4-2-6-13-10;2*1-4-2-3/h8-9,12H,1-6H2;2*2H,1H3
InChIKey ZCJYPZADSZVGRM-UHFFFAOYSA-N
Molecular Weight 297.355 g/mol
Nominal Mass 297 u
SMILES C(=O)OC.N1CCCC1C(C#N)C=1CCCN1.C(=O)OC