![cis-1-butyl-4-{p-{4-{p-{{2-(2,4-dichlorophenyl)-2-[(imidazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy}phenyl}-1-piperazinyl}phenyl}-3-methyl-delta^2-1,2,4-triazolin-5-one](/api/spectrum/E5VCWIcxxDC/structure.png?h=300&w=458 "cis-1-butyl-4-{p-{4-{p-{{2-(2,4-dichlorophenyl)-2-[(imidazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy}phenyl}-1-piperazinyl}phenyl}-3-methyl-delta^2-1,2,4-triazolin-5-one")
| SpectraBase Compound ID | 19x7hczSxuG |
|---|---|
| InChI | InChI=1S/C37H41Cl2N7O4/c1-3-4-16-45-36(47)46(27(2)41-45)31-8-6-29(7-9-31)43-18-20-44(21-19-43)30-10-12-32(13-11-30)48-23-33-24-49-37(50-33,25-42-17-15-40-26-42)34-14-5-28(38)22-35(34)39/h5-15,17,22,26,33H,3-4,16,18-21,23-25H2,1-2H3/t33-,37-/s2 |
| InChIKey | MLQXIYHWKWYJJQ-AQTSKOMXSA-N |
| Mol Weight | 718.7 g/mol |
| Molecular Formula | C37H41Cl2N7O4 |
| Exact Mass | 717.259708 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5VCWIcxxDC |
|---|---|
| Name | cis-1-butyl-4-{p-{4-{p-{{2-(2,4-dichlorophenyl)-2-[(imidazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy}phenyl}-1-piperazinyl}phenyl}-3-methyl-deltasquare-1,2,4-triazolin-5-one |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H41Cl2N7O4 |
| InChI | InChI=1S/C37H41Cl2N7O4/c1-3-4-16-45-36(47)46(27(2)41-45)31-8-6-29(7-9-31)43-18-20-44(21-19-43)30-10-12-32(13-11-30)48-23-33-24-49-37(50-33,25-42-17-15-40-26-42)34-14-5-28(38)22-35(34)39/h5-15,17,22,26,33H,3-4,16,18-21,23-25H2,1-2H3/t33-,37-/s2 |
| InChIKey | MLQXIYHWKWYJJQ-AQTSKOMXSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 44890M |
| Solvent | CDCl3 |