| SpectraBase Compound ID | 52eKiTtF1Nh |
|---|---|
| InChI | InChI=1S/C6H14S/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3 |
| InChIKey | DOCWCRVSOQKFMI-UHFFFAOYSA-N |
| Mol Weight | 118.24 g/mol |
| Molecular Formula | C6H14S |
| Exact Mass | 118.081622 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ex4rYWNwBxs |
|---|---|
| Name | 1-Pentanethiol, 4-methyl- |
| Alternate Name(s) | 4-Methyl-1-pentanethiol 4-Methylpentane-1-thiol |
| CAS Registry Number | 53897-50-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H14S |
| InChI | InChI=1S/C6H14S/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3 |
| InChIKey | DOCWCRVSOQKFMI-UHFFFAOYSA-N |
| Molecular Weight | 118.238 g/mol |
| SMILES | SCCCC(C)C |
| SPLASH | splash10-0a4l-9000000000-77cbcc23e9f57b10820a |
| Source of Spectrum | AA-0-463-2 |
| Wiley ID | 3837 |