| SpectraBase Compound ID | 54UBqMZIWUL |
|---|---|
| InChI | InChI=1S/C32H42N4O6/c1-6-20(3)27(29(37)34-26(31(39)41-5)17-23-18-33-25-16-12-11-15-24(23)25)35-30(38)28(21(4)7-2)36-32(40)42-19-22-13-9-8-10-14-22/h8-16,18,20-21,26-28,33H,6-7,17,19H2,1-5H3,(H,34,37)(H,35,38)(H,36,40) |
| InChIKey | SOVRWONKNFXSGV-UHFFFAOYSA-N |
| Mol Weight | 578.7 g/mol |
| Molecular Formula | C32H42N4O6 |
| Exact Mass | 578.310435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BZIow5Wzltn |
|---|---|
| Name | Methyl 11-((1H-indol-3-yl)methyl)-5,8-di-sec-butyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 578.310435082 u |
| Formula | C32H42N4O6 |
| InChI | InChI=1S/C32H42N4O6/c1-6-20(3)27(29(37)34-26(31(39)41-5)17-23-18-33-25-16-12-11-15-24(23)25)35-30(38)28(21(4)7-2)36-32(40)42-19-22-13-9-8-10-14-22/h8-16,18,20-21,26-28,33H,6-7,17,19H2,1-5H3,(H,34,37)(H,35,38)(H,36,40) |
| InChIKey | SOVRWONKNFXSGV-UHFFFAOYSA-N |
| Molecular Weight | 578.710 g/mol |
| SMILES | N(C(C(NC(=O)OCC1=CC=CC=C1)C(CC)C)=O)C(C(NC(CC1=CNC2=C1C=CC=C2)C(=O)OC)=O)C(CC)C |