![4,4-Dimethyl-3-[(2-methyl-1-propenyl)thio]-2-pentene](/api/spectrum/4YRXVIGNVo/structure.png?h=300&w=458 "4,4-Dimethyl-3-[(2-methyl-1-propenyl)thio]-2-pentene")
| SpectraBase Compound ID | K3w1i2figqO |
|---|---|
| InChI | InChI=1S/C11H20S/c1-7-10(11(4,5)6)12-8-9(2)3/h7-8H,1-6H3/b10-7+ |
| InChIKey | HWCHZEKBTOCJFY-JXMROGBWSA-N |
| Mol Weight | 184.34 g/mol |
| Molecular Formula | C11H20S |
| Exact Mass | 184.128572 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4YRXVIGNVo |
|---|---|
| Name | 4,4-Dimethyl-3-[(2-methyl-1-propenyl)thio]-2-pentene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.128571818 u |
| Formula | C11H20S |
| InChI | InChI=1S/C11H20S/c1-7-10(11(4,5)6)12-8-9(2)3/h7-8H,1-6H3/b10-7+ |
| InChIKey | HWCHZEKBTOCJFY-JXMROGBWSA-N |
| Molecular Weight | 184.341 g/mol |
| SMILES | C(S\C(C(C)(C)C)=C/C)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933892 |