![6-[11-(Carboxyamino)undecanamido]hexanoic acid, benzyl 1-methyl ester](/api/spectrum/BHoYCb04U99/structure.png?h=300&w=458 "6-[11-(Carboxyamino)undecanamido]hexanoic acid, benzyl 1-methyl ester")
| SpectraBase Compound ID | 8aKAtJMpKV7 |
|---|---|
| InChI | InChI=1S/C26H42N2O5/c1-32-25(30)19-13-9-15-20-27-24(29)18-12-6-4-2-3-5-7-14-21-28-26(31)33-22-23-16-10-8-11-17-23/h8,10-11,16-17H,2-7,9,12-15,18-22H2,1H3,(H,27,29)(H,28,31) |
| InChIKey | MMZZKEYQIIBTDD-UHFFFAOYSA-N |
| Mol Weight | 462.6 g/mol |
| Molecular Formula | C26H42N2O5 |
| Exact Mass | 462.309372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BHoYCb04U99 |
|---|---|
| Name | 6-[11-(Carboxyamino)undecanamido]hexanoic acid, benzyl 1-methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.309372455 u |
| Formula | C26H42N2O5 |
| InChI | InChI=1S/C26H42N2O5/c1-32-25(30)19-13-9-15-20-27-24(29)18-12-6-4-2-3-5-7-14-21-28-26(31)33-22-23-16-10-8-11-17-23/h8,10-11,16-17H,2-7,9,12-15,18-22H2,1H3,(H,27,29)(H,28,31) |
| InChIKey | MMZZKEYQIIBTDD-UHFFFAOYSA-N |
| Molecular Weight | 462.631 g/mol |
| SMILES | N(C(=O)OCC1=CC=CC=C1)CCCCCCCCCCC(=O)NCCCCCC(=O)OC |