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1-(4-Benzoyl-1-piperazinyl)-2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]ethanone
SpectraBase Compound ID 2X0pRUHI7Q
InChI InChI=1S/C30H28ClN3O4/c1-20-25(19-28(35)32-14-16-33(17-15-32)29(36)21-6-4-3-5-7-21)26-18-24(38-2)12-13-27(26)34(20)30(37)22-8-10-23(31)11-9-22/h3-13,18H,14-17,19H2,1-2H3
InChIKey HCJZFFIWRCBJKQ-UHFFFAOYSA-N
Mol Weight 530.02 g/mol
Molecular Formula C30H28ClN3O4
Exact Mass 529.176834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SonalFgwBS
Name 1-(4-Benzoyl-1-piperazinyl)-2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 529.176834090 u
Formula C30H28ClN3O4
InChI InChI=1S/C30H28ClN3O4/c1-20-25(19-28(35)32-14-16-33(17-15-32)29(36)21-6-4-3-5-7-21)26-18-24(38-2)12-13-27(26)34(20)30(37)22-8-10-23(31)11-9-22/h3-13,18H,14-17,19H2,1-2H3
InChIKey HCJZFFIWRCBJKQ-UHFFFAOYSA-N
Molecular Weight 530.024 g/mol
SMILES C=1C=CC(C(N2CCN(C(CC3=C(N(C4=C3C=C(C=C4)OC)C(C=3C=CC(=CC3)Cl)=O)C)=O)CC2)=O)=CC1