| SpectraBase Compound ID | BkUHiYevmTW |
|---|---|
| InChI | InChI=1S/C14H18O4S/c1-3-17-13(15)5-4-6-14(16)18-11-7-9-12(19-2)10-8-11/h7-10H,3-6H2,1-2H3 |
| InChIKey | KSKZOTOHOWNMIB-UHFFFAOYSA-N |
| Mol Weight | 282.35 g/mol |
| Molecular Formula | C14H18O4S |
| Exact Mass | 282.09258 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H2yv3HiNnQY |
|---|---|
| Name | Glutaric acid, ethyl 4-(methylthio)benzyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.092580230 u |
| Formula | C14H18O4S |
| InChI | InChI=1S/C14H18O4S/c1-3-17-13(15)5-4-6-14(16)18-11-7-9-12(19-2)10-8-11/h7-10H,3-6H2,1-2H3 |
| InChIKey | KSKZOTOHOWNMIB-UHFFFAOYSA-N |
| SMILES | CSC1=CC=C(OC(=O)CCCC(=O)OCC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.819286 |