| SpectraBase Compound ID | JC3Bg7OVSea |
|---|---|
| InChI | InChI=1S/C11H16S/c1-11(2,3)8-9-4-6-10(12)7-5-9/h4-7,12H,8H2,1-3H3 |
| InChIKey | QQRANXYCIQEGFW-UHFFFAOYSA-N |
| Mol Weight | 180.31 g/mol |
| Molecular Formula | C11H16S |
| Exact Mass | 180.097272 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3seMffutSLR |
|---|---|
| Name | 4-Neopentyl-thiophenol |
| Alternate Name(s) | 4-(2,2-Dimethylpropyl)benzenethiol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H16S |
| InChI | InChI=1S/C11H16S/c1-11(2,3)8-9-4-6-10(12)7-5-9/h4-7,12H,8H2,1-3H3 |
| InChIKey | QQRANXYCIQEGFW-UHFFFAOYSA-N |
| Molecular Weight | 180.309 g/mol |
| SMILES | Sc1ccc(CC(C)(C)C)cc1 |
| SPLASH | splash10-0ab9-8900000000-bc5193daa9a8dd77ddc9 |
| Source of Spectrum | CRT-16-278-I |
| Wiley ID | 1710026 |