| SpectraBase Compound ID | 48NLGHfLM0p |
|---|---|
| InChI | InChI=1S/C11H22S2/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h3-10H2,1-2H3 |
| InChIKey | VTRIENSAJQYGFJ-UHFFFAOYSA-N |
| Mol Weight | 218.42 g/mol |
| Molecular Formula | C11H22S2 |
| Exact Mass | 218.116293 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BITOEb2M2Dc |
|---|---|
| Name | 2-Heptyl-2-methyl-1,3-dithiolane |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H22S2 |
| InChI | InChI=1S/C11H22S2/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h3-10H2,1-2H3 |
| InChIKey | VTRIENSAJQYGFJ-UHFFFAOYSA-N |
| Molecular Weight | 218.417 g/mol |
| SMILES | C1(SCCS1)(C)CCCCCCC |
| SPLASH | splash10-014i-0920000000-8617848225772e6d5d8e |
| Source of Spectrum | J-64-3552-27 |
| Wiley ID | 1530139 |