SpectraBase Compound ID | DNX8lbR2JJ0 |
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InChI | InChI=1S/C31H33Cl2N3O4/c1-21(37)34-20-28(38)36(24-14-16-25(40-2)17-15-24)31(18-6-3-7-19-31)30(39)35-29(22-10-12-23(32)13-11-22)26-8-4-5-9-27(26)33/h4-5,8-17,29H,3,6-7,18-20H2,1-2H3,(H,34,37)(H,35,39) |
InChIKey | FDIBZRXJXROZBH-UHFFFAOYSA-N |
Mol Weight | 582.5 g/mol |
Molecular Formula | C31H33Cl2N3O4 |
Exact Mass | 581.184812 g/mol |
SpectraBase Spectrum ID | IXQOwDZtuTf |
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Name | N-{1-[3-(2-chlorophenyl)-3-(4-chlorophenyl)propanoyl]cyclohexyl}-N-(4-methoxyphenyl)-4-oxopentanamide |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 581.184811951 u |
Formula | C31H33Cl2N3O4 |
InChI | InChI=1S/C31H33Cl2N3O4/c1-21(37)34-20-28(38)36(24-14-16-25(40-2)17-15-24)31(18-6-3-7-19-31)30(39)35-29(22-10-12-23(32)13-11-22)26-8-4-5-9-27(26)33/h4-5,8-17,29H,3,6-7,18-20H2,1-2H3,(H,34,37)(H,35,39) |
InChIKey | FDIBZRXJXROZBH-UHFFFAOYSA-N |
Molecular Weight | 582.528 g/mol |
NMR Offset | 18.0059 |
NMR Spectrometer Frequency | 300.135 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2017_8808 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/10230832; Lab Info: NP; Lab Number: NP-TP00078 |
Temperature | 29.85 °C |