| SpectraBase Compound ID | D2HPoowKPIN |
|---|---|
| InChI | InChI=1S/C9H20S/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3 |
| InChIKey | YZWVPNPGWMPZKQ-UHFFFAOYSA-N |
| Mol Weight | 160.32 g/mol |
| Molecular Formula | C9H20S |
| Exact Mass | 160.128572 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | J0mDsGjrjnB |
|---|---|
| Name | 3,5,5-Trimethyl-1-hexanethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.128571818 u |
| Formula | C9H20S |
| InChI | InChI=1S/C9H20S/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3 |
| InChIKey | YZWVPNPGWMPZKQ-UHFFFAOYSA-N |
| Molecular Weight | 160.319 g/mol |
| SMILES | C(CC(CCS)C)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944436 |