| SpectraBase Spectrum ID |
C2PSVoV3MEB |
| Name |
1,3-Dithiane-2-propanoic acid, .beta.-methyl-2-phenyl-, ethyl ester, (.+-.)- |
| Alternate Name(s) |
Ethyl 3-(2-phenyl-1,3-dithian-2-yl)butanoate
Ethyl 3-methyl-4-(1,3-dithiopropano)-4-phenylbutyrate |
| CAS Registry Number |
111539-81-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22O2S2 |
| InChI |
InChI=1S/C16H22O2S2/c1-3-18-15(17)12-13(2)16(19-10-7-11-20-16)14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-12H2,1-2H3 |
| InChIKey |
VMKIXVIKVNTFKL-UHFFFAOYSA-N |
| Molecular Weight |
310.470 g/mol |
| SMILES |
C1(C(CC(=O)OCC)C)(SCCCS1)c1ccccc1 |
| SPLASH |
splash10-001j-9700000000-2d5baebe535f67a5c8ff |
| Source of Spectrum |
I-65-127-0 |
| Wiley ID |
1311377 |
