![6-{6-[11-(Carboxyamino)undecanamido]hexanamido}hexanoic acid, benzyl 1-methyl ester](/api/spectrum/L3ZbMtxxKfM/structure.png?h=300&w=458 "6-{6-[11-(Carboxyamino)undecanamido]hexanamido}hexanoic acid, benzyl 1-methyl ester")
| SpectraBase Compound ID | K8jgYgdVQla |
|---|---|
| InChI | InChI=1S/C32H53N3O6/c1-40-31(38)23-15-10-18-25-34-30(37)22-14-9-17-24-33-29(36)21-13-6-4-2-3-5-7-16-26-35-32(39)41-27-28-19-11-8-12-20-28/h8,11-12,19-20H,2-7,9-10,13-18,21-27H2,1H3,(H,33,36)(H,34,37)(H,35,39) |
| InChIKey | DIDHHFBVWLLQOK-UHFFFAOYSA-N |
| Mol Weight | 575.8 g/mol |
| Molecular Formula | C32H53N3O6 |
| Exact Mass | 575.393436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3ZbMtxxKfM |
|---|---|
| Name | 6-{6-[11-(Carboxyamino)undecanamido]hexanamido}hexanoic acid, benzyl 1-methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 575.393436433 u |
| Formula | C32H53N3O6 |
| InChI | InChI=1S/C32H53N3O6/c1-40-31(38)23-15-10-18-25-34-30(37)22-14-9-17-24-33-29(36)21-13-6-4-2-3-5-7-16-26-35-32(39)41-27-28-19-11-8-12-20-28/h8,11-12,19-20H,2-7,9-10,13-18,21-27H2,1H3,(H,33,36)(H,34,37)(H,35,39) |
| InChIKey | DIDHHFBVWLLQOK-UHFFFAOYSA-N |
| Molecular Weight | 575.791 g/mol |
| SMILES | N(C(=O)OCC1=CC=CC=C1)CCCCCCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)OC |