| SpectraBase Compound ID | 26XVIeoB6vB |
|---|---|
| InChI | InChI=1S/C9H8O2S/c1-7-6-8-4-2-3-5-9(8)12(7,10)11/h2-6H,1H3 |
| InChIKey | BRNMIIDEQOJZTP-UHFFFAOYSA-N |
| Mol Weight | 180.22 g/mol |
| Molecular Formula | C9H8O2S |
| Exact Mass | 180.024501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwsNptNZTmR |
|---|---|
| Name | BRNMIIDEQOJZTP-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C9H8O2S |
| InChI | InChI=1S/C9H8O2S/c1-7-6-8-4-2-3-5-9(8)12(7,10)11/h2-6H,1H3 |
| InChIKey | BRNMIIDEQOJZTP-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 180.221 g/mol |
| Source File Reference | MHKO1324 |