| SpectraBase Compound ID | K6wanR9r7k2 |
|---|---|
| InChI | InChI=1S/C16H25NO3S/c1-3-4-5-6-7-8-11-20-15(18)13-17(2)16(19)14-10-9-12-21-14/h9-10,12H,3-8,11,13H2,1-2H3 |
| InChIKey | XTAOGLWQOTXLAA-UHFFFAOYSA-N |
| Mol Weight | 311.44 g/mol |
| Molecular Formula | C16H25NO3S |
| Exact Mass | 311.155515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6L7JoDKRhAq |
|---|---|
| Name | Sarcosine, N-(2-thienylcarbonyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.155514840 u |
| Formula | C16H25NO3S |
| InChI | InChI=1S/C16H25NO3S/c1-3-4-5-6-7-8-11-20-15(18)13-17(2)16(19)14-10-9-12-21-14/h9-10,12H,3-8,11,13H2,1-2H3 |
| InChIKey | XTAOGLWQOTXLAA-UHFFFAOYSA-N |
| Molecular Weight | 311.440 g/mol |
| SMILES | C(CN(C(=O)C=1SC=CC1)C)(OCCCCCCCC)=O |