![[(p-Chlorophenyl)sulfonyl]acetic acid, ethyl ester](/api/spectrum/CgqHfHf1Erb/structure.png?h=300&w=458 "[(p-Chlorophenyl)sulfonyl]acetic acid, ethyl ester")
| SpectraBase Compound ID | 28Q8JLtYaDM |
|---|---|
| InChI | InChI=1S/C10H11ClO4S/c1-2-15-10(12)7-16(13,14)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3 |
| InChIKey | BKBFOPDOLZURHT-UHFFFAOYSA-N |
| Mol Weight | 262.71 g/mol |
| Molecular Formula | C10H11ClO4S |
| Exact Mass | 262.006658 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CgqHfHf1Erb |
|---|---|
| Name | [(p-Chlorophenyl)sulfonyl]acetic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.006657704 u |
| Formula | C10H11ClO4S |
| InChI | InChI=1S/C10H11ClO4S/c1-2-15-10(12)7-16(13,14)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3 |
| InChIKey | BKBFOPDOLZURHT-UHFFFAOYSA-N |
| SMILES | C(S(C1=CC=C(C=C1)Cl)(=O)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.894489 |