| SpectraBase Spectrum ID |
HDpxL2c17hc |
| Name |
2,4-Cyclohexadiene-1-propanoic acid, 6-(2-methyl-1,3-dithian-2-yl)-.beta.-oxo-, ethyl ester, trans- |
| CAS Registry Number |
129296-25-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22O3S2 |
| InChI |
InChI=1S/C16H22O3S2/c1-3-19-15(18)11-14(17)12-7-4-5-8-13(12)16(2)20-9-6-10-21-16/h4-5,7-8,12-13H,3,6,9-11H2,1-2H3/t12-,13-/m0/s1 |
| InChIKey |
BQSULYGGBDHWEH-STQMWFEESA-N |
| Molecular Weight |
326.469 g/mol |
| SMILES |
C1([C@@]2([C@@](C(CC(=O)OCC)=O)(C=CC=C2)[H])[H])(SCCCS1)C |
| SPLASH |
splash10-001i-2900000000-d20bb4902554d09a7f86 |
| Source of Spectrum |
H-73-402-30 |
| Synonyms |
Ethyl 2-{[6-(2-methyl-1,3-dithian-2-yl)cyclohexa-2,4-dien-1-yl]carbonyl}acetate
Ethyl 3-[(1S,6S)-6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-3-oxopropanoate |
| Wiley ID |
1324576 |
