| SpectraBase Spectrum ID |
2nI2w4ig52 |
| Name |
Methyl 2-(1,3-dithian-2-ylidene)-3-methyl-5-oxoheptanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20O3S2 |
| InChI |
InChI=1S/C13H20O3S2/c1-4-10(14)8-9(2)11(12(15)16-3)13-17-6-5-7-18-13/h9H,4-8H2,1-3H3 |
| InChIKey |
SLOZNFFLELWBBW-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.14.37 |
| Molecular Weight |
288.420 g/mol |
| Reported Formula |
C13H20O3S2 |
| SMILES |
C(C(=C1SCCCS1)C(CC(CC)=O)C)(=O)OC |
| SPLASH |
splash10-00li-0970000000-a7b93a0372ad4fedf667 |
| Source of Spectrum |
BJO-14-SM19-5r |
| Thin-Layer Chromatography |
Rf = 0.38 (cyclohexane/ethyl acetate, 2:1) |
| Wiley ID |
1845812 |
