| SpectraBase Compound ID | 1zByrQCuknu |
|---|---|
| InChI | InChI=1S/C8H8O2S/c9-11(10)6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2 |
| InChIKey | NKPTVQFJWGCELJ-UHFFFAOYSA-N |
| Mol Weight | 168.21 g/mol |
| Molecular Formula | C8H8O2S |
| Exact Mass | 168.024501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Adr1Xa8S6Cu |
|---|---|
| Name | NKPTVQFJWGCELJ-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C8H8O2S |
| InChI | InChI=1S/C8H8O2S/c9-11(10)6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2 |
| InChIKey | NKPTVQFJWGCELJ-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 168.210 g/mol |
| Source File Reference | MHKO1299 |