| 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 | 7G5HZWXcC8I |
|---|---|
| Name | 2-HEPTANONE, 1-(METHYLSULFINYL)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 | 176.0867 |
| SMILES | C(=O)(CCCCC)CS(=O)C |
| SPLASH | splash10-06r6-9100000000-afa6c45156a70bd13f7b |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |