| SpectraBase Compound ID | AQyndcahdPp |
|---|---|
| InChI | InChI=1S/C11H12ClNO2/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2 |
| InChIKey | ZRGHSGNYLSCFJY-UHFFFAOYSA-N |
| Mol Weight | 225.67 g/mol |
| Molecular Formula | C11H12ClNO2 |
| Exact Mass | 225.055656 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EtxySZPKY6t |
|---|---|
| Name | 2-Chlorobenzoic acid, morpholide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.055656328 u |
| Formula | C11H12ClNO2 |
| InChI | InChI=1S/C11H12ClNO2/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2 |
| InChIKey | ZRGHSGNYLSCFJY-UHFFFAOYSA-N |
| Molecular Weight | 225.675 g/mol |
| SMILES | C1=CC=C(C(=C1)Cl)C(=O)N1CCOCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915944 |