| SpectraBase Spectrum ID |
CQaqyB0IlAM |
| Name |
1-Methylsulfinylmethyl-7-methyl-2,4,6,13-tetraoxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane |
| Alternate Name(s) |
1-methyl-11-[(methylsulfinyl)methyl]-8,10,12,13-tetraoxapentacyclo[5.5.1.0(2,6).0(3,11).0(4,9)]tridecane
methyl (11-methyl-8,10,12,13-tetraoxapentacyclo[5.5.1.0(2,6).0(3,11).0(4,9)]tridec-1-yl)methyl sulfoxide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O5S |
| InChI |
InChI=1S/C12H16O5S/c1-11-7-5-3-6-8(7)12(17-11,4-18(2)13)16-10(6)14-9(5)15-11/h5-10H,3-4H2,1-2H3 |
| InChIKey |
DTYHMOGVPRRDHP-UHFFFAOYSA-N |
| Molecular Weight |
272.315 g/mol |
| SMILES |
C12(C3C4C5CC3C(O1)OC5OC4(O2)C)CS(=O)C |
| SPLASH |
splash10-0a4i-0090000000-00b0b1311a35704003aa |
| Source of Spectrum |
QA-47-268-14 |
| Wiley ID |
863352 |
![1-Methylsulfinylmethyl-7-methyl-2,4,6,13-tetraoxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane](/api/spectrum/CQaqyB0IlAM/structure.png?h=300&w=458 "1-Methylsulfinylmethyl-7-methyl-2,4,6,13-tetraoxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane")
