| SpectraBase Compound ID | 4pvzfHbQ5GY |
|---|---|
| InChI | InChI=1S/C8H12O2S2/c1-2-4-8(7(9)10)11-5-3-6-12-8/h2H,1,3-6H2,(H,9,10) |
| InChIKey | HKUUXPOTRBVDMT-UHFFFAOYSA-N |
| Mol Weight | 204.3 g/mol |
| Molecular Formula | C8H12O2S2 |
| Exact Mass | 204.027872 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LB0ez8cqMjV |
|---|---|
| Name | 2-Allyl-1,3-dithiane-2-carboxylic acid |
| CAS Registry Number | 71404-66-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O2S2 |
| InChI | InChI=1S/C8H12O2S2/c1-2-4-8(7(9)10)11-5-3-6-12-8/h2H,1,3-6H2,(H,9,10) |
| InChIKey | HKUUXPOTRBVDMT-UHFFFAOYSA-N |
| Molecular Weight | 204.302 g/mol |
| SMILES | OC(C1(SCCCS1)CC=C)=O |
| SPLASH | splash10-04i9-1900000000-de483b1c187033369747 |
| Source of Spectrum | C-101-3892-0 |
| Wiley ID | 1201275 |