| SpectraBase Compound ID | 9S2WvuWacnN |
|---|---|
| InChI | InChI=1S/C8H16O2S/c1-8(2,3)5-7(9)6-11(4)10/h5-6H2,1-4H3 |
| InChIKey | YNBYXFQVEWUZED-UHFFFAOYSA-N |
| Mol Weight | 176.27 g/mol |
| Molecular Formula | C8H16O2S |
| Exact Mass | 176.087101 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1DAZBofKrle |
|---|---|
| Name | 4,4-Dimethyl-1-(methylsulfinyl)-2-pentanone |
| CAS Registry Number | 123005-08-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H16O2S |
| InChI | InChI=1S/C8H16O2S/c1-8(2,3)5-7(9)6-11(4)10/h5-6H2,1-4H3 |
| InChIKey | YNBYXFQVEWUZED-UHFFFAOYSA-N |
| Molecular Weight | 176.274 g/mol |
| SMILES | C(S(=O)C)C(=O)CC(C)(C)C |
| SPLASH | splash10-0a4i-9300000000-8d821032ae984b03284d |
| Source of Spectrum | J-54-5622-1 |
| Wiley ID | 1172037 |