| SpectraBase Spectrum ID |
9Hb9CgH7XmV |
| Name |
1-Isopropyl-7-methylthio-2,4,6,13-tetraoxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane |
| Alternate Name(s) |
1-isopropyl-11-(methylsulfanyl)-8,10,12,13-tetraoxapentacyclo[5.5.1.0(2,6).0(3,11).0(4,9)]tridecane
11-isopropyl-8,10,12,13-tetraoxapentacyclo[5.5.1.0(2,6).0(3,11).0(4,9)]tridec-1-yl methyl sulfide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O4S |
| InChI |
InChI=1S/C13H18O4S/c1-5(2)12-8-6-4-7-9(8)13(17-12,18-3)16-11(7)14-10(6)15-12/h5-11H,4H2,1-3H3 |
| InChIKey |
GATWBSKWEKTWAD-UHFFFAOYSA-N |
| Molecular Weight |
270.343 g/mol |
| SMILES |
C12(OC3(OC4C5C3C2C(C5)C(O1)O4)C(C)C)SC |
| SPLASH |
splash10-00di-0090000000-62d93514013430e80665 |
| Source of Spectrum |
QA-43-184-9 |
| Wiley ID |
862226 |
![1-Isopropyl-7-methylthio-2,4,6,13-tetraoxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane](/api/spectrum/9Hb9CgH7XmV/structure.png?h=300&w=458 "1-Isopropyl-7-methylthio-2,4,6,13-tetraoxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane")
