| SpectraBase Spectrum ID |
Kgdjb2vaqWT |
| Name |
3,4-bis(1-adamantyl)-2,5-dimethyl-thiophene 1,1-dioxide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H36O2S |
| InChI |
InChI=1S/C26H36O2S/c1-15-23(25-9-17-3-18(10-25)5-19(4-17)11-25)24(16(2)29(15,27)28)26-12-20-6-21(13-26)8-22(7-20)14-26/h17-22H,3-14H2,1-2H3 |
| InChIKey |
GFDIYKDZKURLLW-UHFFFAOYSA-N |
| Molecular Weight |
412.632 g/mol |
| SMILES |
C=1(S(C(=C(C1C12CC3CC(C2)CC(C1)C3)C12CC3CC(C2)CC(C1)C3)C)(=O)=O)C |
| SPLASH |
splash10-000i-0900100000-3377d1cc0cc3e3ea8692 |
| Source of Spectrum |
J-63-4921-14 |
| Wiley ID |
1374594 |
