| SpectraBase Compound ID | FMxvc4iaLl8 |
|---|---|
| InChI | InChI=1S/C24H30N2O5/c1-2-10-22(27)21(26-24(29)31-18-20-13-7-4-8-14-20)15-9-16-25-23(28)30-17-19-11-5-3-6-12-19/h2-8,11-14,21-22,27H,1,9-10,15-18H2,(H,25,28)(H,26,29)/t21-,22?/m0/s1 |
| InChIKey | PIKMNZFPJIEXJZ-HMTLIYDFSA-N |
| Mol Weight | 426.51 g/mol |
| Molecular Formula | C24H30N2O5 |
| Exact Mass | 426.215472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JRGn0M9MMTO |
|---|---|
| Name | (4S,5rs)-1,4-bis(Benzyloxycarbonylamino)-7-octen-5-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.215472069 u |
| Formula | C24H30N2O5 |
| InChI | InChI=1S/C24H30N2O5/c1-2-10-22(27)21(26-24(29)31-18-20-13-7-4-8-14-20)15-9-16-25-23(28)30-17-19-11-5-3-6-12-19/h2-8,11-14,21-22,27H,1,9-10,15-18H2,(H,25,28)(H,26,29)/t21-,22?/m0/s1 |
| InChIKey | PIKMNZFPJIEXJZ-HMTLIYDFSA-N |
| Molecular Weight | 426.513 g/mol |
| SMILES | C(N[C@](C(O)CC=C)(CCCNC(=O)OCC=1C=CC=CC1)[H])(=O)OCC=1C=CC=CC1 |