![5''-Heptyl-[2,2':5',2''-terthiophene]-5-carbaldehyde](/api/spectrum/A7NLrHBBMVW/structure.png?h=300&w=458 "5''-Heptyl-[2,2':5',2''-terthiophene]-5-carbaldehyde")
| SpectraBase Compound ID | AUtAszLGUBd |
|---|---|
| InChI | InChI=1S/C20H22OS3/c1-2-3-4-5-6-7-15-8-10-17(22-15)19-12-13-20(24-19)18-11-9-16(14-21)23-18/h8-14H,2-7H2,1H3 |
| InChIKey | KSSYAAKVCMZIBU-UHFFFAOYSA-N |
| Mol Weight | 374.58 g/mol |
| Molecular Formula | C20H22OS3 |
| Exact Mass | 374.083279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7NLrHBBMVW |
|---|---|
| Name | 5''-Heptyl-[2,2':5',2''-terthiophene]-5-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.083278849 u |
| Formula | C20H22OS3 |
| InChI | InChI=1S/C20H22OS3/c1-2-3-4-5-6-7-15-8-10-17(22-15)19-12-13-20(24-19)18-11-9-16(14-21)23-18/h8-14H,2-7H2,1H3 |
| InChIKey | KSSYAAKVCMZIBU-UHFFFAOYSA-N |
| Molecular Weight | 374.575 g/mol |
| SMILES | C1(=CC=C(S1)C=O)C1=CC=C(S1)C1=CC=C(S1)CCCCCCC |