| SpectraBase Compound ID | KTUuC3E5U7b |
|---|---|
| InChI | InChI=1S/C17H12S4/c1-4-13(18-7-1)10-12-11-16(14-5-2-8-19-14)21-17(12)15-6-3-9-20-15/h1-9,11H,10H2 |
| InChIKey | SSZOYMPDIKGIBP-UHFFFAOYSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C17H12S4 |
| Exact Mass | 343.982185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GZwYdJdMALT |
|---|---|
| Name | 3'-(Thiophen-2-ylmethyl)-2,2':5',2''-terthiophe |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.982185082 u |
| Formula | C17H12S4 |
| InChI | InChI=1S/C17H12S4/c1-4-13(18-7-1)10-12-11-16(14-5-2-8-19-14)21-17(12)15-6-3-9-20-15/h1-9,11H,10H2 |
| InChIKey | SSZOYMPDIKGIBP-UHFFFAOYSA-N |
| Molecular Weight | 344.523 g/mol |
| SMILES | C=1(SC(=CC1CC=1SC=CC1)C=1SC=CC1)C=1SC=CC1 |