| SpectraBase Compound ID | DMCIRakCJK8 |
|---|---|
| InChI | InChI=1S/C9H18O2S2/c1-3-4-5-6-9(2)12(10)7-8-13(9)11/h3-8H2,1-2H3 |
| InChIKey | LNCAOXMXATWIQI-UHFFFAOYSA-N |
| Mol Weight | 222.36 g/mol |
| Molecular Formula | C9H18O2S2 |
| Exact Mass | 222.074822 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DeLoWqHCo4u |
|---|---|
| Name | 2-Methyl-2-pentyl-1,3-dithiolane 1,3-dioxide |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H18O2S2 |
| InChI | InChI=1S/C9H18O2S2/c1-3-4-5-6-9(2)12(10)7-8-13(9)11/h3-8H2,1-2H3 |
| InChIKey | LNCAOXMXATWIQI-UHFFFAOYSA-N |
| Molecular Weight | 222.361 g/mol |
| SMILES | C1(S(CCS1=O)=O)(CCCCC)C |
| SPLASH | splash10-0a4i-0920000000-7fd44d49dffc80f32f30 |
| Source of Spectrum | KC-0-606-3 |
| Wiley ID | 780652 |