| SpectraBase Compound ID | EFRZjdPy7aA |
|---|---|
| InChI | InChI=1S/C12H20S/c1-4-5-11-8-9-12(13-11)7-6-10(2)3/h8-10H,4-7H2,1-3H3 |
| InChIKey | AEAISDGNZHADFV-UHFFFAOYSA-N |
| Mol Weight | 196.35 g/mol |
| Molecular Formula | C12H20S |
| Exact Mass | 196.128572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ATu8M233AR |
|---|---|
| Name | Thiophene, 2-(3-methylbutyl)-5-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.128571818 u |
| Formula | C12H20S |
| InChI | InChI=1S/C12H20S/c1-4-5-11-8-9-12(13-11)7-6-10(2)3/h8-10H,4-7H2,1-3H3 |
| InChIKey | AEAISDGNZHADFV-UHFFFAOYSA-N |
| Molecular Weight | 196.352 g/mol |
| SMILES | C(CC=1SC(CCC)=CC1)C(C)C |