![2-[(t-Butoxycarbonyl)amino]-10-methyl-13-methoxyhexadeca-3,7,9,15-tetraene-1-thiol](/api/spectrum/9GFgOjChEwG/structure.png?h=300&w=458 "2-[(t-Butoxycarbonyl)amino]-10-methyl-13-methoxyhexadeca-3,7,9,15-tetraene-1-thiol")
| SpectraBase Compound ID | 8rAFs8wB5jB |
|---|---|
| InChI | InChI=1S/C23H39NO3S/c1-7-13-21(26-6)17-16-19(2)14-11-9-8-10-12-15-20(18-28)24-22(25)27-23(3,4)5/h7,9,11-12,14-15,20-21,28H,1,8,10,13,16-18H2,2-6H3,(H,24,25)/b11-9+,15-12+,19-14+ |
| InChIKey | ZIEYVRGOVWWIRK-SSFGXVHJSA-N |
| Mol Weight | 409.6 g/mol |
| Molecular Formula | C23H39NO3S |
| Exact Mass | 409.265065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9GFgOjChEwG |
|---|---|
| Name | 2-[(T-Butoxycarbonyl)amino]-10-methyl-13-methoxyhexadeca-3,7,9,15-tetraene-1-thiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 409.265065291 u |
| Formula | C23H39NO3S |
| InChI | InChI=1S/C23H39NO3S/c1-7-13-21(26-6)17-16-19(2)14-11-9-8-10-12-15-20(18-28)24-22(25)27-23(3,4)5/h7,9,11-12,14-15,20-21,28H,1,8,10,13,16-18H2,2-6H3,(H,24,25)/b11-9+,15-12+,19-14+ |
| InChIKey | ZIEYVRGOVWWIRK-SSFGXVHJSA-N |
| Molecular Weight | 409.629 g/mol |
| SMILES | C(NC(\C=C\CC\C=C\C=C\(CCC(OC)CC=C)C)CS)(OC(C)(C)C)=O |