| SpectraBase Compound ID | Gv9sGIZWX0G |
|---|---|
| InChI | InChI=1S/C8H14S2/c1-6(2)8(10-5)7(3)9-4/h3H2,1-2,4-5H3 |
| InChIKey | ANBJIPWLSPOGGN-UHFFFAOYSA-N |
| Mol Weight | 174.32 g/mol |
| Molecular Formula | C8H14S2 |
| Exact Mass | 174.053693 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H0r8Tq46QDv |
|---|---|
| Name | 2,3-bis(Methylthio)-4-methyl-1,3-pentadiene |
| 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/c1-6(2)8(10-5)7(3)9-4/h3H2,1-2,4-5H3 |
| InChIKey | ANBJIPWLSPOGGN-UHFFFAOYSA-N |
| Molecular Weight | 174.320 g/mol |
| SMILES | C=C(C(=C(C)C)SC)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949975 |