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2-{3-[4-(2-Hydroxyphenyl)piperazin-1-yl]propyl}-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 2miKom89HDR
InChI InChI=1S/C21H23N3O3/c25-19-9-4-3-8-18(19)23-14-12-22(13-15-23)10-5-11-24-20(26)16-6-1-2-7-17(16)21(24)27/h1-4,6-9,25H,5,10-15H2
InChIKey XMADIFGXKDIKHA-UHFFFAOYSA-N
Mol Weight 365.43 g/mol
Molecular Formula C21H23N3O3
Exact Mass 365.173942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBmM8tIEKfE
Name 2-{3-[4-(2-Hydroxyphenyl)piperazin-1-yl]propyl}-1H-isoindole-1,3(2H)-dione
Comments Computed using HOSE algorithm
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Exact Mass 365.173941610 u
Formula C21H23N3O3
InChI InChI=1S/C21H23N3O3/c25-19-9-4-3-8-18(19)23-14-12-22(13-15-23)10-5-11-24-20(26)16-6-1-2-7-17(16)21(24)27/h1-4,6-9,25H,5,10-15H2
InChIKey XMADIFGXKDIKHA-UHFFFAOYSA-N
Molecular Weight 365.433 g/mol
SMILES C1(N(C(C=2C=CC=CC12)=O)CCCN1CCN(CC1)C=1C(=CC=CC1)O)=O