![1-(4-bromophenyl)-3-{[4-(4-methylphenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-1-yl]methyl}thiourea](/api/spectrum/DWsdAoS2Jj3/structure.png?h=300&w=458 "1-(4-bromophenyl)-3-{[4-(4-methylphenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-1-yl]methyl}thiourea")
| SpectraBase Compound ID | JHZe6dYqcRF |
|---|---|
| InChI | InChI=1S/C23H20BrN3O3S/c1-13-2-8-16(9-3-13)27-20(28)18-17-10-11-23(30-17,19(18)21(27)29)12-25-22(31)26-15-6-4-14(24)5-7-15/h2-11,17-19H,12H2,1H3,(H2,25,26,31)/t17-,18-,19+,23-/m0/s1 |
| InChIKey | CTBKSMGNDXOBFF-XWQURZDVSA-N |
| Mol Weight | 498.4 g/mol |
| Molecular Formula | C23H20BrN3O3S |
| Exact Mass | 497.040876 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | DWsdAoS2Jj3 |
|---|---|
| Name | 1-(4-bromophenyl)-3-{[4-(4-methylphenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-1-yl]methyl}thiourea |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 497.040875687 u |
| Formula | C23H20BrN3O3S |
| InChI | InChI=1S/C23H20BrN3O3S/c1-13-2-8-16(9-3-13)27-20(28)18-17-10-11-23(30-17,19(18)21(27)29)12-25-22(31)26-15-6-4-14(24)5-7-15/h2-11,17-19H,12H2,1H3,(H2,25,26,31)/t17-,18-,19+,23-/m0/s1 |
| InChIKey | CTBKSMGNDXOBFF-XWQURZDVSA-N |
| Molecular Weight | 498.395 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_7575 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12329827 |