![1-(4-ethylphenyl)-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/jhCmSHsSgq/structure.png?h=300&w=458 "1-(4-ethylphenyl)-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 | 8YBk53gmJqH |
|---|---|
| InChI | InChI=1S/C25H25N3O3S/c1-3-16-6-8-17(9-7-16)27-24(32)26-14-25-13-12-19(31-25)20-21(25)23(30)28(22(20)29)18-10-4-15(2)5-11-18/h4-13,19-21H,3,14H2,1-2H3,(H2,26,27,32)/t19-,20-,21+,25-/m0/s1 |
| InChIKey | ARHROCODVHMZCK-HULNYRCFSA-N |
| Mol Weight | 447.55 g/mol |
| Molecular Formula | C25H25N3O3S |
| Exact Mass | 447.161663 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | jhCmSHsSgq |
|---|---|
| Name | 1-(4-ethylphenyl)-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 | 447.161662848 u |
| Formula | C25H25N3O3S |
| InChI | InChI=1S/C25H25N3O3S/c1-3-16-6-8-17(9-7-16)27-24(32)26-14-25-13-12-19(31-25)20-21(25)23(30)28(22(20)29)18-10-4-15(2)5-11-18/h4-13,19-21H,3,14H2,1-2H3,(H2,26,27,32)/t19-,20-,21+,25-/m0/s1 |
| InChIKey | ARHROCODVHMZCK-HULNYRCFSA-N |
| Molecular Weight | 447.553 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_7576 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12329828 |