| SpectraBase Spectrum ID |
6q2WCP0AqHr |
| Name |
tert-Butyl 4-(2-(4-hydroxyphenethyl)-1,3-dithian-2-yl)-3-oxobutanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O4S2 |
| InChI |
InChI=1S/C20H28O4S2/c1-19(2,3)24-18(23)13-17(22)14-20(25-11-4-12-26-20)10-9-15-5-7-16(21)8-6-15/h5-8,21H,4,9-14H2,1-3H3 |
| InChIKey |
MDXWENBMGHNFCD-UHFFFAOYSA-N |
| Molecular Weight |
396.560 g/mol |
| SMILES |
Oc1ccc(CCC2(CC(CC(OC(C)(C)C)=O)=O)SCCCS2)cc1 |
| SPLASH |
splash10-001i-0092000000-67287c0b2602fed8fd07 |
| Source of Spectrum |
F-66-5869-38 |
| Wiley ID |
1683547 |
