| SpectraBase Compound ID | DbxzVp9K3I6 |
|---|---|
| InChI | InChI=1S/C14H14S5/c1-3-7-13(8-4-1)11-15-17-19-18-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey | QZXIAZMRRQBSFL-UHFFFAOYSA-N |
| Mol Weight | 342.6 g/mol |
| Molecular Formula | C14H14S5 |
| Exact Mass | 341.969906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9G7ue3jWSZn |
|---|---|
| Name | Benzyl pentasulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.969906321 u |
| Formula | C14H14S5 |
| InChI | InChI=1S/C14H14S5/c1-3-7-13(8-4-1)11-15-17-19-18-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey | QZXIAZMRRQBSFL-UHFFFAOYSA-N |
| Molecular Weight | 342.566 g/mol |
| SMILES | C1=CC=C(CSSSSSCC2=CC=CC=C2)C=C1 |