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SpectraBase Compound ID | KBD0gRXCkx1 |
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InChI | InChI=1S/C30H29Cl2N5O5/c31-22-1-10-28(29(32)17-22)30(20-34-12-11-33-21-34)41-19-27(42-30)18-40-26-8-6-24(7-9-26)36-15-13-35(14-16-36)23-2-4-25(5-3-23)37(38)39/h1-12,17,21,27H,13-16,18-20H2/t27-,30-/m0/s1 InChI=1S/C30H29Cl2N5O5/c31-22-1-10-28(29(32)17-22)30(20-34-12-11-33-21-34)41-19-27(42-30)18-40-26-8-6-24(7-9-26)36-15-13-35(14-16-36)23-2-4-25(5-3-23)37(38)39/h1-12,17,21,27H,13-16,18-20H2/t27-,30-/m1/s1 |
InChIKey | CVVDHYVUVYYWML-FIBWVYCGSA-N |
Mol Weight | 610.5 g/mol |
Molecular Formula | C30H29Cl2N5O5 |
Exact Mass | 609.154574 g/mol |
SpectraBase Spectrum ID | 1OaihpcuM2V |
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Name | 1-{p-{{2-(2,4-dichlorophenyl)-2-[(imidazol-1-yl)methyl]-1,3, -dioxolan-4-yl}methoxy}phenyl}-4-(p-nitrophenyl)piperazine |
Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C30H29Cl2N5O5 |
InChI | InChI=1S/C30H29Cl2N5O5/c31-22-1-10-28(29(32)17-22)30(20-34-12-11-33-21-34)41-19-27(42-30)18-40-26-8-6-24(7-9-26)36-15-13-35(14-16-36)23-2-4-25(5-3-23)37(38)39/h1-12,17,21,27H,13-16,18-20H2/t27-,30-/m0/s1 InChI=1S/C30H29Cl2N5O5/c31-22-1-10-28(29(32)17-22)30(20-34-12-11-33-21-34)41-19-27(42-30)18-40-26-8-6-24(7-9-26)36-15-13-35(14-16-36)23-2-4-25(5-3-23)37(38)39/h1-12,17,21,27H,13-16,18-20H2/t27-,30-/m1/s1 |
InChIKey | CVVDHYVUVYYWML-FIBWVYCGSA-N |
Instrument Name | Varian CFT-20 |
Sadtler NMR Number | 44886M |
Solvent | CDCl3 |