| SpectraBase Compound ID | 5X84IP4LFzx |
|---|---|
| InChI | InChI=1S/C9H12O3S/c1-11-4-5-12-9(10)7-8-3-2-6-13-8/h2-3,6H,4-5,7H2,1H3 |
| InChIKey | BJVAPJOGOIVQJU-UHFFFAOYSA-N |
| Mol Weight | 200.25 g/mol |
| Molecular Formula | C9H12O3S |
| Exact Mass | 200.050715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9OgjrQrezUO |
|---|---|
| Name | Thiophene-2-acetic acid, 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.050715417 u |
| Formula | C9H12O3S |
| InChI | InChI=1S/C9H12O3S/c1-11-4-5-12-9(10)7-8-3-2-6-13-8/h2-3,6H,4-5,7H2,1H3 |
| InChIKey | BJVAPJOGOIVQJU-UHFFFAOYSA-N |
| Molecular Weight | 200.252 g/mol |
| SMILES | C1(=CC=CS1)CC(=O)OCCOC |