| SpectraBase Compound ID | B25UPpTXNAm |
|---|---|
| InChI | InChI=1S/C14H14O3S/c1-9-3-5-11(15)13(7-9)18(17)14-8-10(2)4-6-12(14)16/h3-8,15-16H,1-2H3 |
| InChIKey | XDHQMRJPDDMKNO-UHFFFAOYSA-N |
| Mol Weight | 262.32 g/mol |
| Molecular Formula | C14H14O3S |
| Exact Mass | 262.066365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DI7f8gyuznC |
|---|---|
| Name | Phenol, 2,2'-sulfinylbis[4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.066365482 u |
| Formula | C14H14O3S |
| InChI | InChI=1S/C14H14O3S/c1-9-3-5-11(15)13(7-9)18(17)14-8-10(2)4-6-12(14)16/h3-8,15-16H,1-2H3 |
| InChIKey | XDHQMRJPDDMKNO-UHFFFAOYSA-N |
| SMILES | CC1=CC(S(C2=C(C=CC(=C2)C)O)=O)=C(C=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898721 |