| SpectraBase Spectrum ID |
GyLFntiv1fW |
| Name |
S-(3-((2-Methyl-5-oxohexan-3-yl)thio)propyl) 2-phenylethanethioate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H26O2S2 |
| InChI |
InChI=1S/C18H26O2S2/c1-14(2)17(12-15(3)19)21-10-7-11-22-18(20)13-16-8-5-4-6-9-16/h4-6,8-9,14,17H,7,10-13H2,1-3H3/t17-/m0/s1 |
| InChIKey |
HAPMDIPOMSAKCB-KRWDZBQOSA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.14.37 |
| Molecular Weight |
338.524 g/mol |
| Reported Formula |
C18H26O2S2 |
| SMILES |
c1(CC(SCCCS[C@@](CC(C)=O)(C(C)C)[H])=O)ccccc1 |
| SPLASH |
splash10-02tc-9881000000-20136f422de60796f8e1 |
| Source of Spectrum |
BJO-14-SM36-7e |
| Thin-Layer Chromatography |
Rf = 0.48 (cyclohexane/ethyl acetate, 4:1) |
| Wiley ID |
1845813 |
