| SpectraBase Compound ID | INW4UNifwm |
|---|---|
| InChI | InChI=1S/C15H14O4S/c1-20(17,18)14-9-7-12(8-10-14)11-19-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChIKey | MGLQGYMIDWSOTL-UHFFFAOYSA-N |
| Mol Weight | 290.33 g/mol |
| Molecular Formula | C15H14O4S |
| Exact Mass | 290.06128 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6iShKQ5Zhhm |
|---|---|
| Name | 4-Mesylbenzyl benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.061280101 u |
| Formula | C15H14O4S |
| InChI | InChI=1S/C15H14O4S/c1-20(17,18)14-9-7-12(8-10-14)11-19-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChIKey | MGLQGYMIDWSOTL-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1)(=O)OCC1=CC=C(C=C1)S(=O)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839463 |