| SpectraBase Compound ID | 8LooYf4nWGA |
|---|---|
| InChI | InChI=1S/C9H18S/c1-3-5-9-6-4-7-10-8(9)2/h8-9H,3-7H2,1-2H3 |
| InChIKey | BYHXNMFQMXQPTQ-UHFFFAOYSA-N |
| Mol Weight | 158.3 g/mol |
| Molecular Formula | C9H18S |
| Exact Mass | 158.112922 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | cCQIziQkGk |
|---|---|
| Name | 2H-Thiopyran, tetrahydro-2-methyl-3-propyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.112921754 u |
| Formula | C9H18S |
| InChI | InChI=1S/C9H18S/c1-3-5-9-6-4-7-10-8(9)2/h8-9H,3-7H2,1-2H3 |
| InChIKey | BYHXNMFQMXQPTQ-UHFFFAOYSA-N |
| Molecular Weight | 158.303 g/mol |
| SMILES | C(CC1C(C)SCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906899 |