![(1'S,'S,3'S)-1-[2'-(Tert-butoxycarbonylamino)-3'-phenyl-1'-hydroxy-1'-propenyl]-2-cyclohexene](/api/spectrum/LJBJNBlZdQc/structure.png?h=300&w=458 "(1'S,'S,3'S)-1-[2'-(Tert-butoxycarbonylamino)-3'-phenyl-1'-hydroxy-1'-propenyl]-2-cyclohexene")
| SpectraBase Compound ID | 5A7TvSv3tiV |
|---|---|
| InChI | InChI=1S/C20H29NO3/c1-20(2,3)24-19(23)21-17(14-15-10-6-4-7-11-15)18(22)16-12-8-5-9-13-16/h4,6-8,10-12,16-18,22H,5,9,13-14H2,1-3H3,(H,21,23)/t16?,17-,18-/m0/s1 |
| InChIKey | OPNOOWGVFOQCMI-FQECFTEESA-N |
| Mol Weight | 331.46 g/mol |
| Molecular Formula | C20H29NO3 |
| Exact Mass | 331.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LJBJNBlZdQc |
|---|---|
| Name | (1'S,'S,3'S)-1-[2'-(Tert-butoxycarbonylamino)-3'-phenyl-1'-hydroxy-1'-propenyl]-2-cyclohexene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.214743795 u |
| Formula | C20H29NO3 |
| InChI | InChI=1S/C20H29NO3/c1-20(2,3)24-19(23)21-17(14-15-10-6-4-7-11-15)18(22)16-12-8-5-9-13-16/h4,6-8,10-12,16-18,22H,5,9,13-14H2,1-3H3,(H,21,23)/t16?,17-,18-/m0/s1 |
| InChIKey | OPNOOWGVFOQCMI-FQECFTEESA-N |
| Molecular Weight | 331.456 g/mol |
| SMILES | C(N[C@]([C@](C1C=CCCC1)(O)[H])(CC=1C=CC=CC1)[H])(OC(C)(C)C)=O |