![11-{6-[11-(Carboxyamino)undecanamido]hexanamido}undecanoic acid, benzyl ester, 1-hydrazide](/api/spectrum/AkA7OchI5yq/structure.png?h=300&w=458 "11-{6-[11-(Carboxyamino)undecanamido]hexanamido}undecanoic acid, benzyl ester, 1-hydrazide")
| SpectraBase Compound ID | KyBSDP02f8d |
|---|---|
| InChI | InChI=1S/C36H63N5O5/c37-41-35(44)27-18-10-6-2-3-7-11-20-28-38-34(43)26-19-14-22-29-39-33(42)25-17-9-5-1-4-8-12-21-30-40-36(45)46-31-32-23-15-13-16-24-32/h13,15-16,23-24H,1-12,14,17-22,25-31,37H2,(H,38,43)(H,39,42)(H,40,45)(H,41,44) |
| InChIKey | ODSOQGKLCUSGGC-UHFFFAOYSA-N |
| Mol Weight | 645.9 g/mol |
| Molecular Formula | C36H63N5O5 |
| Exact Mass | 645.48292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AkA7OchI5yq |
|---|---|
| Name | 11-{6-[11-(Carboxyamino)undecanamido]hexanamido}undecanoic acid, benzyl ester, 1-hydrazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 645.482920144 u |
| Formula | C36H63N5O5 |
| InChI | InChI=1S/C36H63N5O5/c37-41-35(44)27-18-10-6-2-3-7-11-20-28-38-34(43)26-19-14-22-29-39-33(42)25-17-9-5-1-4-8-12-21-30-40-36(45)46-31-32-23-15-13-16-24-32/h13,15-16,23-24H,1-12,14,17-22,25-31,37H2,(H,38,43)(H,39,42)(H,40,45)(H,41,44) |
| InChIKey | ODSOQGKLCUSGGC-UHFFFAOYSA-N |
| Molecular Weight | 645.930 g/mol |
| SMILES | N(C(=O)OCC1=CC=CC=C1)CCCCCCCCCCC(=O)NCCCCCC(=O)NCCCCCCCCCCC(=O)NN |