![Urea, N-(3-nitrophenyl)-N'-[2-(tricyclo[3.3.1.1(3,7)]dec-1-yloxy)propyl]-](/api/spectrum/FD2a7Cyoudx/structure.png?h=300&w=458 "Urea, N-(3-nitrophenyl)-N'-[2-(tricyclo[3.3.1.1(3,7)]dec-1-yloxy)propyl]-")
| SpectraBase Compound ID | HSsS2X1qlFO |
|---|---|
| InChI | InChI=1S/C20H27N3O4/c1-13(27-20-9-14-5-15(10-20)7-16(6-14)11-20)12-21-19(24)22-17-3-2-4-18(8-17)23(25)26/h2-4,8,13-16H,5-7,9-12H2,1H3,(H2,21,22,24)/t13?,14-,15+,16-,20- |
| InChIKey | YIPKZEZYZAKLCZ-APYHOFFBSA-N |
| Mol Weight | 373.45 g/mol |
| Molecular Formula | C20H27N3O4 |
| Exact Mass | 373.200156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FD2a7Cyoudx |
|---|---|
| Name | Urea, N-(3-nitrophenyl)-N'-[2-(tricyclo[3.3.1.1(3,7)]dec-1-yloxy)propyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 373.200156357 u |
| Formula | C20H27N3O4 |
| InChI | InChI=1S/C20H27N3O4/c1-13(27-20-9-14-5-15(10-20)7-16(6-14)11-20)12-21-19(24)22-17-3-2-4-18(8-17)23(25)26/h2-4,8,13-16H,5-7,9-12H2,1H3,(H2,21,22,24)/t13?,14-,15+,16-,20- |
| InChIKey | YIPKZEZYZAKLCZ-APYHOFFBSA-N |
| Molecular Weight | 373.453 g/mol |
| SMILES | C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])OC(C)CNC(=O)NC1=CC=CC(=C1)N(=O)=O)[H] |