![3-Chlorobenzoxazolo[3,2-b]isoquinolin-11-one](/api/spectrum/B2UwU8gvNOr/structure.png?h=300&w=458 "3-Chlorobenzoxazolo[3,2-b]isoquinolin-11-one")
| SpectraBase Compound ID | IrDU9ilke7n |
|---|---|
| InChI | InChI=1S/C15H8ClNO2/c16-10-5-6-12-13(8-10)19-14-7-9-3-1-2-4-11(9)15(18)17(12)14/h1-8H |
| InChIKey | WAVQWWLRPPKWEH-UHFFFAOYSA-N |
| Mol Weight | 269.69 g/mol |
| Molecular Formula | C15H8ClNO2 |
| Exact Mass | 269.024356 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B2UwU8gvNOr |
|---|---|
| Name | 3-Chlorobenzoxazolo[3,2-B]isoquinolin-11-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.024356200 u |
| Formula | C15H8ClNO2 |
| InChI | InChI=1S/C15H8ClNO2/c16-10-5-6-12-13(8-10)19-14-7-9-3-1-2-4-11(9)15(18)17(12)14/h1-8H |
| InChIKey | WAVQWWLRPPKWEH-UHFFFAOYSA-N |
| SMILES | C1(N2C(=CC=3C=CC=CC13)OC=1C2=CC=C(C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946664 |