| SpectraBase Spectrum ID |
ItmGYz2Q4XF |
| Name |
Methyl 2-(1,3-dithian-2-ylidene)-2-(3-oxocyclopentyl)acetate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O3S2 |
| InChI |
InChI=1S/C12H16O3S2/c1-15-11(14)10(8-3-4-9(13)7-8)12-16-5-2-6-17-12/h8H,2-7H2,1H3 |
| InChIKey |
LXIYELLFKPNDKG-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.14.37 |
| Molecular Weight |
272.377 g/mol |
| Reported Formula |
C12H16O3S2 |
| SMILES |
C(=C1SCCCS1)(C1CCC(C1)=O)C(=O)OC |
| SPLASH |
splash10-006t-9280000000-bb977325a6001e9f0af3 |
| Source of Spectrum |
BJO-14-SM26-10g |
| Thin-Layer Chromatography |
Rf = 0.20 (cyclohexane/ethyl acetate, 2:1) |
| Wiley ID |
1845777 |
