![6-{6-[11-(Carboxyamino)undecanamido]hexanamido}hexanoic acid, benzyl ester](/api/spectrum/AJQ3EnR0tAv/structure.png?h=300&w=458 "6-{6-[11-(Carboxyamino)undecanamido]hexanamido}hexanoic acid, benzyl ester")
| SpectraBase Compound ID | GqLLtolAazh |
|---|---|
| InChI | InChI=1S/C31H51N3O6/c35-28(32-23-16-8-13-21-29(36)33-24-17-9-14-22-30(37)38)20-12-5-3-1-2-4-6-15-25-34-31(39)40-26-27-18-10-7-11-19-27/h7,10-11,18-19H,1-6,8-9,12-17,20-26H2,(H,32,35)(H,33,36)(H,34,39)(H,37,38) |
| InChIKey | INAUGXNZATUGMA-UHFFFAOYSA-N |
| Mol Weight | 561.8 g/mol |
| Molecular Formula | C31H51N3O6 |
| Exact Mass | 561.377786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AJQ3EnR0tAv |
|---|---|
| Name | 6-{6-[11-(Carboxyamino)undecanamido]hexanamido}hexanoic acid, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 561.377786368 u |
| Formula | C31H51N3O6 |
| InChI | InChI=1S/C31H51N3O6/c35-28(32-23-16-8-13-21-29(36)33-24-17-9-14-22-30(37)38)20-12-5-3-1-2-4-6-15-25-34-31(39)40-26-27-18-10-7-11-19-27/h7,10-11,18-19H,1-6,8-9,12-17,20-26H2,(H,32,35)(H,33,36)(H,34,39)(H,37,38) |
| InChIKey | INAUGXNZATUGMA-UHFFFAOYSA-N |
| Molecular Weight | 561.764 g/mol |
| SMILES | N(C(=O)OCC1=CC=CC=C1)CCCCCCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)O |