| SpectraBase Compound ID | BDFfUjIzNr7 |
|---|---|
| InChI | InChI=1S/C8H16O2S/c1-3-4-5-6-8(9)7-11(2)10/h3-7H2,1-2H3 |
| InChIKey | LCAUOLWVIJUNBB-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 | 8HjFIVYEX6E |
|---|---|
| Name | 1-(Methylsulfinyl)-2-heptanone |
| Alternate Name(s) | 1-Methylsulfinylheptan-2-one 2-Heptanone, 1-(methylsulfinyl)- |
| CAS Registry Number | 2863-47-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H16O2S |
| InChI | InChI=1S/C8H16O2S/c1-3-4-5-6-8(9)7-11(2)10/h3-7H2,1-2H3 |
| InChIKey | LCAUOLWVIJUNBB-UHFFFAOYSA-N |
| Molecular Weight | 176.274 g/mol |
| SMILES | CCCCCC(=O)CS(C)=O |
| SPLASH | splash10-06r6-9100000000-92884a71f583835fe448 |
| Wiley ID | 1489559 |