SpectraBase Compound ID | 1EYYrholbBx |
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InChI | InChI=1S/C8H16OS/c1-10-7-8(9)5-3-2-4-6-8/h9H,2-7H2,1H3 |
InChIKey | NYTIUYYYDIYRLJ-UHFFFAOYSA-N |
Mol Weight | 160.27 g/mol |
Molecular Formula | C8H16OS |
Exact Mass | 160.092186 g/mol |
SpectraBase Spectrum ID | HRYUsJmqA7o |
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Name | 1-Methylsulfanylmethylcyclohxanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 160.092186308 u |
Formula | C8H16OS |
InChI | InChI=1S/C8H16OS/c1-10-7-8(9)5-3-2-4-6-8/h9H,2-7H2,1H3 |
InChIKey | NYTIUYYYDIYRLJ-UHFFFAOYSA-N |
Molecular Weight | 160.275 g/mol |
SMILES | C1(O)(CSC)CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824592 |