![[11(2S)]-11-[2-[N-[(Benzyloxy)carbonyl]piperidinyl]]-9-undecenoic acid](/api/spectrum/L4yyLogMvLx/structure.png?h=300&w=458 "[11(2S)]-11-[2-[N-[(Benzyloxy)carbonyl]piperidinyl]]-9-undecenoic acid")
| SpectraBase Compound ID | 6sCoMoMNv5e |
|---|---|
| InChI | InChI=1S/C24H35NO4/c26-23(27)18-11-6-4-2-1-3-5-10-16-22-17-12-13-19-25(22)24(28)29-20-21-14-8-7-9-15-21/h5,7-10,14-15,22H,1-4,6,11-13,16-20H2,(H,26,27)/b10-5+/t22-/m1/s1 |
| InChIKey | PREGTQGOZCKBSG-YHEXHBFFSA-N |
| Mol Weight | 401.5 g/mol |
| Molecular Formula | C24H35NO4 |
| Exact Mass | 401.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4yyLogMvLx |
|---|---|
| Name | [11(2S)]-11-[2-[N-[(Benzyloxy)carbonyl]piperidinyl]]-9-undecenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.256608607 u |
| Formula | C24H35NO4 |
| InChI | InChI=1S/C24H35NO4/c26-23(27)18-11-6-4-2-1-3-5-10-16-22-17-12-13-19-25(22)24(28)29-20-21-14-8-7-9-15-21/h5,7-10,14-15,22H,1-4,6,11-13,16-20H2,(H,26,27)/b10-5+/t22-/m1/s1 |
| InChIKey | PREGTQGOZCKBSG-YHEXHBFFSA-N |
| Molecular Weight | 401.547 g/mol |
| SMILES | C(N1[C@](C\C=C\CCCCCCCC(=O)O)(CCCC1)[H])(OCC1=CC=CC=C1)=O |