| SpectraBase Compound ID | HTkjKAkd5ME |
|---|---|
| InChI | InChI=1S/C16H27NO3S/c1-12(2)7-6-8-13(3)9-10-21-11-15(16(19)20-5)17-14(4)18/h7,9,15H,6,8,10-11H2,1-5H3,(H,17,18)/b13-9+ |
| InChIKey | ZYTHDPNNEJESTB-UKTHLTGXSA-N |
| Mol Weight | 313.46 g/mol |
| Molecular Formula | C16H27NO3S |
| Exact Mass | 313.171165 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 | HUd1QQ2eI8I |
|---|---|
| Name | 2-Acetylamino-3-(3,7-dimethyl-octa-2,6-dienylsulfanyl)-propionic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.171164904 u |
| Formula | C16H27NO3S |
| InChI | InChI=1S/C16H27NO3S/c1-12(2)7-6-8-13(3)9-10-21-11-15(16(19)20-5)17-14(4)18/h7,9,15H,6,8,10-11H2,1-5H3,(H,17,18)/b13-9+ |
| InChIKey | ZYTHDPNNEJESTB-UKTHLTGXSA-N |
| SMILES | N(C(CSC\C=C\(CCC=C(C)C)C)C(OC)=O)C(=O)C |