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2-Amino-1-(oxolan-2-ylmethyl)-4,5-diphenylpyrrole-3-carbonitrile
SpectraBase Compound ID H2xSyx0Gc2E
InChI InChI=1S/C22H21N3O/c23-14-19-20(16-8-3-1-4-9-16)21(17-10-5-2-6-11-17)25(22(19)24)15-18-12-7-13-26-18/h1-6,8-11,18H,7,12-13,15,24H2
InChIKey UOUISZJWYUHXLO-UHFFFAOYSA-N
Mol Weight 343.43 g/mol
Molecular Formula C22H21N3O
Exact Mass 343.168462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClogRvu7jRg
Name 2-Amino-1-(oxolan-2-ylmethyl)-4,5-diphenylpyrrole-3-carbonitrile
Comments Computed using HOSE algorithm
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Exact Mass 343.168462307 u
Formula C22H21N3O
InChI InChI=1S/C22H21N3O/c23-14-19-20(16-8-3-1-4-9-16)21(17-10-5-2-6-11-17)25(22(19)24)15-18-12-7-13-26-18/h1-6,8-11,18H,7,12-13,15,24H2
InChIKey UOUISZJWYUHXLO-UHFFFAOYSA-N
Molecular Weight 343.430 g/mol
SMILES C1(=C(N(CC2CCCO2)C(=C1C#N)N)C1=CC=CC=C1)C1=CC=CC=C1