| SpectraBase Compound ID | Fnn3NrY1Zxd |
|---|---|
| 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-NWDGAFQWSA-N |
| Mol Weight | 228.39 g/mol |
| Molecular Formula | C13H24OS |
| Exact Mass | 228.154787 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 | 3rz8m0cT8pS |
|---|---|
| Name | (2S*,5R*)-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-NWDGAFQWSA-N |
| Molecular Weight | 228.394 g/mol |
| SMILES | C1([C@@](CC[C@@]1(CCCCCCC)[H])(SC)[H])=O |
| SPLASH | splash10-00fr-9750000000-3c95ac65b0e82e745211 |
| Source of Spectrum | F-67-2309-0 |
| Wiley ID | 1686033 |