| SpectraBase Compound ID | bWe7WrPz12 |
|---|---|
| InChI | InChI=1S/C12H7F7O3S/c1-23-7-4-2-6(3-5-7)8(20)22-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3 |
| InChIKey | BLBCYKCSSXUIBC-UHFFFAOYSA-N |
| Mol Weight | 364.23 g/mol |
| Molecular Formula | C12H7F7O3S |
| Exact Mass | 364.000412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3OqdE5UneuD |
|---|---|
| Name | 4-(Methylthio)benzoic heptafluorobutyric anhydride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.000412397 u |
| Formula | C12H7F7O3S |
| InChI | InChI=1S/C12H7F7O3S/c1-23-7-4-2-6(3-5-7)8(20)22-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3 |
| InChIKey | BLBCYKCSSXUIBC-UHFFFAOYSA-N |
| Molecular Weight | 364.234 g/mol |
| SMILES | C1=CC(=CC=C1C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=O)SC |