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2-Pyrrol4-[4-(2,4-dimethyl-phenyl)-piperazin-1-yl]-butylmorpho-isoindole-1,3-dione

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2-Pyrrol4-[4-(2,4-dimethyl-phenyl)-piperazin-1-yl]-butylmorpho-isoindole-1,3-dione
SpectraBase Compound ID G9Tf4k4V0QK
InChI InChI=1S/C24H29N3O2/c1-18-9-10-22(19(2)17-18)26-15-13-25(14-16-26)11-5-6-12-27-23(28)20-7-3-4-8-21(20)24(27)29/h3-4,7-10,17H,5-6,11-16H2,1-2H3
InChIKey HXALNLOBOUPLME-UHFFFAOYSA-N
Mol Weight 391.52 g/mol
Molecular Formula C24H29N3O2
Exact Mass 391.225977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I0GcDJyxoFa
Name 2-Pyrrol4-[4-(2,4-dimethyl-phenyl)-piperazin-1-yl]-butylmorpho-isoindole-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 391.225977184 u
Formula C24H29N3O2
InChI InChI=1S/C24H29N3O2/c1-18-9-10-22(19(2)17-18)26-15-13-25(14-16-26)11-5-6-12-27-23(28)20-7-3-4-8-21(20)24(27)29/h3-4,7-10,17H,5-6,11-16H2,1-2H3
InChIKey HXALNLOBOUPLME-UHFFFAOYSA-N
Molecular Weight 391.515 g/mol
SMILES C(CN1CCN(CC1)C1=CC=C(C=C1C)C)CCN1C(C2=C(C1=O)C=CC=C2)=O