| SpectraBase Compound ID | BUaG0YuwsYK |
|---|---|
| InChI | InChI=1S/3C6H6S/c3*1-3-5-7-6-4-2/h3*1-2H,5-6H2 |
| InChIKey | YXYFTGCFLMUDBG-UHFFFAOYSA-N |
| Mol Weight | 330.52 g/mol |
| Molecular Formula | C18H18S3 |
| Exact Mass | 330.057064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IoYrFzBCCU |
|---|---|
| Name | Trimer of 4-thiahepta-1,6-diyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.057064102 u |
| Formula | C18H18S3 |
| InChI | InChI=1S/3C6H6S/c3*1-3-5-7-6-4-2/h3*1-2H,5-6H2 |
| InChIKey | YXYFTGCFLMUDBG-UHFFFAOYSA-N |
| Molecular Weight | 330.522 g/mol |
| SMILES | C(#C)CSCC#C.C(#C)CSCC#C.C(#C)CSCC#C |