| SpectraBase Compound ID | yndvfV4sy1 |
|---|---|
| InChI | InChI=1S/C8H14S2/c1-4-5-7(2)6-8(9)10-3/h4-5,7H,6H2,1-3H3/b5-4+ |
| InChIKey | FJOKTHWOJINEBP-SNAWJCMRSA-N |
| Mol Weight | 174.32 g/mol |
| Molecular Formula | C8H14S2 |
| Exact Mass | 174.053693 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 | CKeMESicWJp |
|---|---|
| Name | Methyl (E)-3-methyl-4-hexenedithioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.053692799 u |
| Formula | C8H14S2 |
| InChI | InChI=1S/C8H14S2/c1-4-5-7(2)6-8(9)10-3/h4-5,7H,6H2,1-3H3/b5-4+ |
| InChIKey | FJOKTHWOJINEBP-SNAWJCMRSA-N |
| Molecular Weight | 174.320 g/mol |
| SMILES | C(=S)(SC)CC(\C=C\C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.803071 |