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ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]-
SpectraBase Compound ID J1HLvFTp0RK
InChI InChI=1S/C19H21N5O/c1-14-18(15-5-2-3-6-16(15)22-14)17(25)13-23-9-11-24(12-10-23)19-20-7-4-8-21-19/h2-8,22H,9-13H2,1H3
InChIKey UWKHSPNUKIVDMK-UHFFFAOYSA-N
Mol Weight 335.41 g/mol
Molecular Formula C19H21N5O
Exact Mass 335.17461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JHf2ECmg10
Name Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]-
Comments Computed using HOSE algorithm
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Exact Mass 335.174610315 u
Formula C19H21N5O
InChI InChI=1S/C19H21N5O/c1-14-18(15-5-2-3-6-16(15)22-14)17(25)13-23-9-11-24(12-10-23)19-20-7-4-8-21-19/h2-8,22H,9-13H2,1H3
InChIKey UWKHSPNUKIVDMK-UHFFFAOYSA-N
Molecular Weight 335.411 g/mol
SMILES N1C=2C(C(=C1C)C(CN1CCN(C3=NC=CC=N3)CC1)=O)=CC=CC2