| SpectraBase Compound ID | DpmiftAwoob |
|---|---|
| InChI | InChI=1S/C8H12O2S/c9-11(10)7-1-5-2-8(11)4-6(5)3-7/h5-8H,1-4H2/t5?,6?,7-,8+ |
| InChIKey | WMZJPDHLYARVAY-HYNHDVCUSA-N |
| Mol Weight | 172.24 g/mol |
| Molecular Formula | C8H12O2S |
| Exact Mass | 172.055801 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Dp7mxDWIKDr |
|---|---|
| Name | 9-Thianoradamantane 9,9-dioxide |
| CAS Registry Number | 67194-74-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O2S |
| InChI | InChI=1S/C8H12O2S/c9-11(10)7-1-5-2-8(11)4-6(5)3-7/h5-8H,1-4H2/t5?,6?,7-,8+ |
| InChIKey | WMZJPDHLYARVAY-HYNHDVCUSA-N |
| Molecular Weight | 172.242 g/mol |
| SMILES | [C@]12(S([C@@]3(CC(C2)C(C3)C1)[H])(=O)=O)[H] |
| SPLASH | splash10-05no-9100000000-3b241477f5fdcdf6f58c |
| Source of Spectrum | J-43-3810-0 |
| Wiley ID | 1168391 |