| SpectraBase Compound ID | 2GIywpWZhBu |
|---|---|
| InChI | InChI=1S/C27H40N4O2/c1-22-14-12-16-24(20-22)30-26(32)28-18-10-8-6-4-3-5-7-9-11-19-29-27(33)31-25-17-13-15-23(2)21-25/h12-17,20-21H,3-11,18-19H2,1-2H3,(H2,28,30,32)(H2,29,31,33) |
| InChIKey | LMLMOVIVZFJHTM-UHFFFAOYSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C27H40N4O2 |
| Exact Mass | 452.315127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IBrn8kzJBGc |
|---|---|
| Name | 1,11-bis(3-Methylphenylureido)undecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.315126542 u |
| Formula | C27H40N4O2 |
| InChI | InChI=1S/C27H40N4O2/c1-22-14-12-16-24(20-22)30-26(32)28-18-10-8-6-4-3-5-7-9-11-19-29-27(33)31-25-17-13-15-23(2)21-25/h12-17,20-21H,3-11,18-19H2,1-2H3,(H2,28,30,32)(H2,29,31,33) |
| InChIKey | LMLMOVIVZFJHTM-UHFFFAOYSA-N |
| Molecular Weight | 452.643 g/mol |
| SMILES | N(CCCCCCCCCCCNC(Nc1cc(ccc1)C)=O)C(=O)Nc1cc(ccc1)C |