![o-Ethyl-[N-(benzyloxycarbonyl)-N-[4-[N'-(benzyloxycarbonyl)-amino]-butyl]-4-aminobutyl]-[(N'-tritylamino)-methyl]-phosphinate](/api/spectrum/XX8O1fV4hk/structure.png?h=300&w=458 "o-Ethyl-[N-(benzyloxycarbonyl)-N-[4-[N'-(benzyloxycarbonyl)-amino]-butyl]-4-aminobutyl]-[(N'-tritylamino)-methyl]-phosphinate")
| SpectraBase Compound ID | GABFHftlZwh |
|---|---|
| InChI | InChI=1S/C46H54N3O6P/c1-2-55-56(52,38-48-46(41-26-12-5-13-27-41,42-28-14-6-15-29-42)43-30-16-7-17-31-43)35-21-20-34-49(45(51)54-37-40-24-10-4-11-25-40)33-19-18-32-47-44(50)53-36-39-22-8-3-9-23-39/h3-17,22-31,48H,2,18-21,32-38H2,1H3,(H,47,50) |
| InChIKey | BWSBVCAUFUCNDC-UHFFFAOYSA-N |
| Mol Weight | 775.9 g/mol |
| Molecular Formula | C46H54N3O6P |
| Exact Mass | 775.375023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | XX8O1fV4hk |
|---|---|
| Name | o-Ethyl-[N-(benzyloxycarbonyl)-N-[4-[N'-(benzyloxycarbonyl)-amino]-butyl]-4-aminobutyl]-[(N'-tritylamino)-methyl]-phosphinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 775.375023463 u |
| Formula | C46H54N3O6P |
| InChI | InChI=1S/C46H54N3O6P/c1-2-55-56(52,38-48-46(41-26-12-5-13-27-41,42-28-14-6-15-29-42)43-30-16-7-17-31-43)35-21-20-34-49(45(51)54-37-40-24-10-4-11-25-40)33-19-18-32-47-44(50)53-36-39-22-8-3-9-23-39/h3-17,22-31,48H,2,18-21,32-38H2,1H3,(H,47,50) |
| InChIKey | BWSBVCAUFUCNDC-UHFFFAOYSA-N |
| Molecular Weight | 775.927 g/mol |
| SMILES | C(NCP(=O)(OCC)CCCCN(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |