| SpectraBase Compound ID | KRqQQ3prM8x |
|---|---|
| InChI | InChI=1S/C10H12O2S/c11-10(12-8-3-1-4-8)7-9-5-2-6-13-9/h2,5-6,8H,1,3-4,7H2 |
| InChIKey | HZSBZIVKFKLTIL-UHFFFAOYSA-N |
| Mol Weight | 196.26 g/mol |
| Molecular Formula | C10H12O2S |
| Exact Mass | 196.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8jhqcx1W0i7 |
|---|---|
| Name | Thiophene-2-acetic acid, cyclobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.055800798 u |
| Formula | C10H12O2S |
| InChI | InChI=1S/C10H12O2S/c11-10(12-8-3-1-4-8)7-9-5-2-6-13-9/h2,5-6,8H,1,3-4,7H2 |
| InChIKey | HZSBZIVKFKLTIL-UHFFFAOYSA-N |
| Molecular Weight | 196.264 g/mol |
| SMILES | C1=CC=C(S1)CC(OC1CCC1)=O |