| SpectraBase Spectrum ID |
36ztdifb8Yr |
| Name |
5-Thiatricyclo[7.2.2.0(2,7)]trideca-2(7),3,5-triene-6,9-dione |
| Comments |
Note: The molecular formula of the structure shown is C12H13O2S - which differs from the formula reported for the mass spectrum (C12H10O2S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H10O2S |
| InChI |
InChI=1S/C12H13O2S/c13-11-10-7-12(14)4-1-8(2-5-12)9(10)3-6-15-11/h3,6,8H,1-2,4-5,7H2 |
| InChIKey |
UJEJVHOBXHONHH-UHFFFAOYSA-N |
| Molecular Weight |
222.302 g/mol |
| SMILES |
s1[c](c2C[C]3(CCC(c2cc1)CC3)=O)=O |
| SPLASH |
splash10-0a4i-5890000000-2ba94e42cdf7ded2641f |
| Source of Spectrum |
SK-28-2478-3 |
| Wiley ID |
868523 |
![5-Thiatricyclo[7.2.2.0(2,7)]trideca-2(7),3,5-triene-6,9-dione](/api/spectrum/36ztdifb8Yr/structure.png?h=300&w=458 "5-Thiatricyclo[7.2.2.0(2,7)]trideca-2(7),3,5-triene-6,9-dione")
