| SpectraBase Compound ID | 58Ns8K9aM3I |
|---|---|
| InChI | InChI=1S/C16H26N2O3S/c1-3-4-5-6-7-8-9-10-11-22-16-17-13(15(20)21-2)12-14(19)18-16/h12H,3-11H2,1-2H3,(H,17,18,19) |
| InChIKey | NDULYOVMACKKPH-UHFFFAOYSA-N |
| Mol Weight | 326.46 g/mol |
| Molecular Formula | C16H26N2O3S |
| Exact Mass | 326.166414 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 | E4eYDMXkdbv |
|---|---|
| Name | Methyl 2-decylthioorotate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.166413876 u |
| Formula | C16H26N2O3S |
| InChI | InChI=1S/C16H26N2O3S/c1-3-4-5-6-7-8-9-10-11-22-16-17-13(15(20)21-2)12-14(19)18-16/h12H,3-11H2,1-2H3,(H,17,18,19) |
| InChIKey | NDULYOVMACKKPH-UHFFFAOYSA-N |
| Molecular Weight | 326.455 g/mol |
| SMILES | C1(=NC(=CC(N1)=O)C(OC)=O)SCCCCCCCCCC |