| SpectraBase Compound ID | U3ns6BDMp3 |
|---|---|
| InChI | InChI=1S/C16H14S2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h1-6,9-12H,13-14H2 |
| InChIKey | VKMSXUUAXDGPPA-UHFFFAOYSA-N |
| Mol Weight | 270.41 g/mol |
| Molecular Formula | C16H14S2 |
| Exact Mass | 270.053693 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KCHsqdZiuf5 |
|---|---|
| Name | 1,4-bis(Phenylthio)-2-butyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.053692799 u |
| Formula | C16H14S2 |
| InChI | InChI=1S/C16H14S2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h1-6,9-12H,13-14H2 |
| InChIKey | VKMSXUUAXDGPPA-UHFFFAOYSA-N |
| Molecular Weight | 270.408 g/mol |
| SMILES | C=1C(=CC=CC1)SCC#CCSC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.989844 |