| SpectraBase Compound ID | EdasW6KBnZM |
|---|---|
| InChI | InChI=1S/C13H24OS/c1-3-4-5-6-7-8-11-9-10-12(15-2)13(11)14/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1 |
| InChIKey | CEGXBJJHIXZRPM-RYUDHWBXSA-N |
| Mol Weight | 228.39 g/mol |
| Molecular Formula | C13H24OS |
| Exact Mass | 228.154787 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LAY7jxrIXpX |
|---|---|
| Name | (2S*,5S*)-2-Heptyl-5-(methylthio)cyclopentanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H24OS |
| InChI | InChI=1S/C13H24OS/c1-3-4-5-6-7-8-11-9-10-12(15-2)13(11)14/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1 |
| InChIKey | CEGXBJJHIXZRPM-RYUDHWBXSA-N |
| Molecular Weight | 228.394 g/mol |
| SMILES | C1([C@](CC[C@@]1(CCCCCCC)[H])(SC)[H])=O |
| SPLASH | splash10-00di-9520000000-96b575fcfc3eefcfe1d2 |
| Source of Spectrum | F-67-2309-0 |
| Wiley ID | 1686032 |