| SpectraBase Compound ID | 8Zqu0ZSaINs |
|---|---|
| InChI | InChI=1S/C20H26O2S2/c1-3-5-9-13-23-19-17(21)15-11-7-8-12-16(15)18(22)20(19)24-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3 |
| InChIKey | JDTJECNFDDRVDZ-UHFFFAOYSA-N |
| Mol Weight | 362.55 g/mol |
| Molecular Formula | C20H26O2S2 |
| Exact Mass | 362.137422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DojNfToYNnA |
|---|---|
| Name | 2,3-bis(Pentylsulfanyl)-1,4-naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.137422423 u |
| Formula | C20H26O2S2 |
| InChI | InChI=1S/C20H26O2S2/c1-3-5-9-13-23-19-17(21)15-11-7-8-12-16(15)18(22)20(19)24-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3 |
| InChIKey | JDTJECNFDDRVDZ-UHFFFAOYSA-N |
| Molecular Weight | 362.546 g/mol |
| SMILES | C1(=C(C(=O)C2=C(C1=O)C=CC=C2)SCCCCC)SCCCCC |