![2-Phenyl[1,3]dithiane-2-carboxylic acid](/api/spectrum/8hamxMO1O7E/structure.png?h=300&w=458 "2-Phenyl[1,3]dithiane-2-carboxylic acid")
| SpectraBase Compound ID | CK5qc0yy4wf |
|---|---|
| InChI | InChI=1S/C11H12O2S2/c12-10(13)11(14-7-4-8-15-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13) |
| InChIKey | YBQDRTRZGHPPIJ-UHFFFAOYSA-N |
| Mol Weight | 240.33 g/mol |
| Molecular Formula | C11H12O2S2 |
| Exact Mass | 240.027872 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8hamxMO1O7E |
|---|---|
| Name | 2-Phenyl[1,3]dithiane-2-carboxylic acid |
| CAS Registry Number | 23118-22-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H12O2S2 |
| InChI | InChI=1S/C11H12O2S2/c12-10(13)11(14-7-4-8-15-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13) |
| InChIKey | YBQDRTRZGHPPIJ-UHFFFAOYSA-N |
| Molecular Weight | 240.335 g/mol |
| SMILES | OC(C1(SCCCS1)c1ccccc1)=O |
| SPLASH | splash10-006t-4900000000-8b4d5956dad827ef6571 |
| Wiley ID | 1483086 |