| SpectraBase Compound ID | 658LM5kF2FW |
|---|---|
| InChI | InChI=1S/C7H12O3S/c1-3-9-6(8)5-7(11)10-4-2/h3-5H2,1-2H3 |
| InChIKey | HQVBBXPKBIHTSO-UHFFFAOYSA-N |
| Mol Weight | 176.23 g/mol |
| Molecular Formula | C7H12O3S |
| Exact Mass | 176.050715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5jQ9YHFublb |
|---|---|
| Name | HQVBBXPKBIHTSO-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C7H12O3S |
| InChI | InChI=1S/C7H12O3S/c1-3-9-6(8)5-7(11)10-4-2/h3-5H2,1-2H3 |
| InChIKey | HQVBBXPKBIHTSO-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 176.230 g/mol |
| Source File Reference | MHKO9647 |