SpectraBase Compound ID | 395d2St6Rvd |
---|---|
InChI | InChI=1S/C16H34S2/c1-3-5-13-17-15-11-9-7-8-10-12-16-18-14-6-4-2/h3-16H2,1-2H3 |
InChIKey | HFYUYXRBBZMSLD-UHFFFAOYSA-N |
Mol Weight | 290.6 g/mol |
Molecular Formula | C16H34S2 |
Exact Mass | 290.210193 g/mol |
SpectraBase Spectrum ID | Ktj98ChCU0l |
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Name | 1,8-bis(Butylsulfanyl)octane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 290.210193443 u |
Formula | C16H34S2 |
InChI | InChI=1S/C16H34S2/c1-3-5-13-17-15-11-9-7-8-10-12-16-18-14-6-4-2/h3-16H2,1-2H3 |
InChIKey | HFYUYXRBBZMSLD-UHFFFAOYSA-N |
SMILES | C(SCCCC)CCCCCCCSCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881288 |