| SpectraBase Compound ID | A7dJZcplLCB |
|---|---|
| InChI | InChI=1S/C8H7ClO3/c1-11-8(10)12-7-4-2-6(9)3-5-7/h2-5H,1H3 |
| InChIKey | JRVMCRZYKVRMRU-UHFFFAOYSA-N |
| Mol Weight | 186.59 g/mol |
| Molecular Formula | C8H7ClO3 |
| Exact Mass | 186.008372 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3MDwElufGD |
|---|---|
| Name | Carbonic acid, 4-chlorophenyl methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.008371782 u |
| Formula | C8H7ClO3 |
| InChI | InChI=1S/C8H7ClO3/c1-11-8(10)12-7-4-2-6(9)3-5-7/h2-5H,1H3 |
| InChIKey | JRVMCRZYKVRMRU-UHFFFAOYSA-N |
| Molecular Weight | 186.594 g/mol |
| SMILES | C(OC1=CC=C(C=C1)Cl)(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97074 |