| SpectraBase Compound ID | Cjb7lKcqXXM |
|---|---|
| InChI | InChI=1S/C17H11ClO2/c18-13-8-10-14(11-9-13)20-17(19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H |
| InChIKey | ZTNAIEDTVGAUOA-UHFFFAOYSA-N |
| Mol Weight | 282.73 g/mol |
| Molecular Formula | C17H11ClO2 |
| Exact Mass | 282.044757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5jAVv0Tpne5 |
|---|---|
| Name | 1-Naphthoic acid, 4-chlorophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.044757292 u |
| Formula | C17H11ClO2 |
| InChI | InChI=1S/C17H11ClO2/c18-13-8-10-14(11-9-13)20-17(19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H |
| InChIKey | ZTNAIEDTVGAUOA-UHFFFAOYSA-N |
| SMILES | C1=CC2=C(C(=C1)C(OC1=CC=C(C=C1)Cl)=O)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816274 |