| SpectraBase Compound ID | 6FeLE2bw0AU |
|---|---|
| InChI | InChI=1S/C9H10OS/c1-11(10)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+/i1D3,8D |
| InChIKey | XAEWOVDMQWMXIG-SBALAFBJSA-N |
| Mol Weight | 170.26 g/mol |
| Molecular Formula | C9H6D4OS |
| Exact Mass | 170.070343 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BQIbarNzQLm |
|---|---|
| Name | 1-(Methyl(D3)sulfinyl)-2phenylethene-1-D |
| CAS Registry Number | 38366-91-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H6D4OS |
| InChI | InChI=1S/C9H10OS/c1-11(10)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+/i1D3,8D |
| InChIKey | XAEWOVDMQWMXIG-SBALAFBJSA-N |
| Molecular Weight | 170.262 g/mol |
| SMILES | c1(\C=C\(S(=O)C([D])([D])[D])[D])ccccc1 |
| SPLASH | splash10-0ffx-3900000000-f8bff079c53b51ee5d76 |
| Source of Spectrum | O-6-702-4 |
| Wiley ID | 14265 |