| SpectraBase Spectrum ID |
8FGxmNmlEWC |
| Name |
6,6-Di(methylthio)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16OS2 |
| InChI |
InChI=1S/C13H16OS2/c1-15-13(16-2)9-5-7-10-6-3-4-8-11(10)12(13)14/h3-4,6,8H,5,7,9H2,1-2H3 |
| InChIKey |
CRWGMBSQGDYBLL-UHFFFAOYSA-N |
| Molecular Weight |
252.390 g/mol |
| SMILES |
C1(C(SC)(SC)CCCc2c1cccc2)=O |
| SPLASH |
splash10-0a4i-0090000000-08acce3f2ee33a23ef02 |
| Source of Spectrum |
F-67-2308-f |
| Wiley ID |
1686040 |
