| SpectraBase Compound ID | 6kSHE7YV6Pl |
|---|---|
| InChI | InChI=1S/C18H26O2S/c1-2-3-4-5-6-7-8-9-10-11-14-20-18(19)16-17-13-12-15-21-17/h12-13,15H,2,5-11,14,16H2,1H3 |
| InChIKey | IDWUVPACKJCKCH-UHFFFAOYSA-N |
| Mol Weight | 306.46 g/mol |
| Molecular Formula | C18H26O2S |
| Exact Mass | 306.165351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CODijjQrumz |
|---|---|
| Name | Thiophene-2-acetic acid, dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.165351249 u |
| Formula | C18H26O2S |
| InChI | InChI=1S/C18H26O2S/c1-2-3-4-5-6-7-8-9-10-11-14-20-18(19)16-17-13-12-15-21-17/h12-13,15H,2,5-11,14,16H2,1H3 |
| InChIKey | IDWUVPACKJCKCH-UHFFFAOYSA-N |
| Molecular Weight | 306.464 g/mol |
| SMILES | C(CCCC#CCC)CCCCOC(CC=1SC=CC1)=O |