| SpectraBase Compound ID | 1QljCqpGarJ |
|---|---|
| InChI | InChI=1S/C10H16S/c1-10(2,3)9-5-4-7-11-8-6-9/h4-6H,7-8H2,1-3H3 |
| InChIKey | NYLYJQVMLLBBCT-UHFFFAOYSA-N |
| Mol Weight | 168.3 g/mol |
| Molecular Formula | C10H16S |
| Exact Mass | 168.097272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LOH0tCcDb6F |
|---|---|
| Name | 4-Tert-butyl-2,7-dihydrothiepin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.097271689 u |
| Formula | C10H16S |
| InChI | InChI=1S/C10H16S/c1-10(2,3)9-5-4-7-11-8-6-9/h4-6H,7-8H2,1-3H3 |
| InChIKey | NYLYJQVMLLBBCT-UHFFFAOYSA-N |
| Molecular Weight | 168.298 g/mol |
| SMILES | C=1(C(C)(C)C)C=CCSCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914327 |