![1-benzyl-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/65DTNqvZXpw/structure.png?h=300&w=458 "1-benzyl-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 | 59XTPzOeXzi |
|---|---|
| InChI | InChI=1S/C24H23N3O3S/c1-15-7-9-17(10-8-15)27-21(28)19-18-11-12-24(30-18,20(19)22(27)29)14-26-23(31)25-13-16-5-3-2-4-6-16/h2-12,18-20H,13-14H2,1H3,(H2,25,26,31)/t18-,19-,20+,24-/m0/s1 |
| InChIKey | LRERTOYOIGJSAU-KTIHBUSBSA-N |
| Mol Weight | 433.53 g/mol |
| Molecular Formula | C24H23N3O3S |
| Exact Mass | 433.146013 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 65DTNqvZXpw |
|---|---|
| Name | 1-benzyl-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 | 433.146012784 u |
| Formula | C24H23N3O3S |
| InChI | InChI=1S/C24H23N3O3S/c1-15-7-9-17(10-8-15)27-21(28)19-18-11-12-24(30-18,20(19)22(27)29)14-26-23(31)25-13-16-5-3-2-4-6-16/h2-12,18-20H,13-14H2,1H3,(H2,25,26,31)/t18-,19-,20+,24-/m0/s1 |
| InChIKey | LRERTOYOIGJSAU-KTIHBUSBSA-N |
| Molecular Weight | 433.526 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5955 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12319544 |