| SpectraBase Compound ID | 5HbdYE3AX7F |
|---|---|
| InChI | InChI=1S/C12H12O5S/c1-12(2)16-10(13)9(11(14)17-12)7-18-6-8-4-3-5-15-8/h3-5,7H,6H2,1-2H3 |
| InChIKey | AUIVDIPCUTVKCQ-UHFFFAOYSA-N |
| Mol Weight | 268.28 g/mol |
| Molecular Formula | C12H12O5S |
| Exact Mass | 268.040545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BikrBFHUA3b |
|---|---|
| Name | 5-(Furan-2-ylmethylsulfanylmethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.040544655 u |
| Formula | C12H12O5S |
| InChI | InChI=1S/C12H12O5S/c1-12(2)16-10(13)9(11(14)17-12)7-18-6-8-4-3-5-15-8/h3-5,7H,6H2,1-2H3 |
| InChIKey | AUIVDIPCUTVKCQ-UHFFFAOYSA-N |
| Molecular Weight | 268.283 g/mol |
| SMILES | C1(C(OC(OC1=O)(C)C)=O)=CSCC=1OC=CC1 |