| SpectraBase Compound ID | 92v51BmaBFt |
|---|---|
| InChI | InChI=1S/C19H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-19(20)17-18-14-13-16-22-18/h13-14,16H,2-10,15,17H2,1H3 |
| InChIKey | WRHULFWLMAUXJM-UHFFFAOYSA-N |
| Mol Weight | 320.49 g/mol |
| Molecular Formula | C19H28O2S |
| Exact Mass | 320.181001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 93uw1pFswLA |
|---|---|
| Name | 2-Thiopheneacetic acid, tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.181001314 u |
| Formula | C19H28O2S |
| InChI | InChI=1S/C19H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-19(20)17-18-14-13-16-22-18/h13-14,16H,2-10,15,17H2,1H3 |
| InChIKey | WRHULFWLMAUXJM-UHFFFAOYSA-N |
| Molecular Weight | 320.491 g/mol |
| SMILES | C1=CC=C(S1)CC(OCC#CCCCCCCCCCC)=O |