| SpectraBase Compound ID | A4PYkhtCcXO |
|---|---|
| InChI | InChI=1S/C28H44N4O7/c1-8-18(4)23(32-27(37)39-28(5,6)7)26(36)31-22(17(2)3)25(35)30-20(24(29)34)14-15-21(33)38-16-19-12-10-9-11-13-19/h9-13,17-18,20,22-23H,8,14-16H2,1-7H3,(H2,29,34)(H,30,35)(H,31,36)(H,32,37) |
| InChIKey | JGZHHIOHNGYFHO-UHFFFAOYSA-N |
| Mol Weight | 548.7 g/mol |
| Molecular Formula | C28H44N4O7 |
| Exact Mass | 548.321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lkx3n0SzipX |
|---|---|
| Name | Benzyl 6-(sec-butyl)-12-carbamoyl-9-isopropyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazapentadecan-15-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 548.320999766 u |
| Formula | C28H44N4O7 |
| InChI | InChI=1S/C28H44N4O7/c1-8-18(4)23(32-27(37)39-28(5,6)7)26(36)31-22(17(2)3)25(35)30-20(24(29)34)14-15-21(33)38-16-19-12-10-9-11-13-19/h9-13,17-18,20,22-23H,8,14-16H2,1-7H3,(H2,29,34)(H,30,35)(H,31,36)(H,32,37) |
| InChIKey | JGZHHIOHNGYFHO-UHFFFAOYSA-N |
| Molecular Weight | 548.681 g/mol |
| SMILES | N(C(C(NC(OC(C)(C)C)=O)C(CC)C)=O)C(C(NC(C(=O)N)CCC(=O)OCC=1C=CC=CC1)=O)C(C)C |