| SpectraBase Compound ID | 3Et32PtYKTV |
|---|---|
| InChI | InChI=1S/C9H9NO2/c1-2-10-7-5-3-4-6-8(7)12-9(10)11/h3-6H,2H2,1H3 |
| InChIKey | CQEWMIYTLWJAAY-UHFFFAOYSA-N |
| Mol Weight | 163.18 g/mol |
| Molecular Formula | C9H9NO2 |
| Exact Mass | 163.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CRhJjj3p0Vq |
|---|---|
| Name | 3-Ethyl-1,3-benzoxazol-2(3H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.063328532 u |
| Formula | C9H9NO2 |
| InChI | InChI=1S/C9H9NO2/c1-2-10-7-5-3-4-6-8(7)12-9(10)11/h3-6H,2H2,1H3 |
| InChIKey | CQEWMIYTLWJAAY-UHFFFAOYSA-N |
| Molecular Weight | 163.176 g/mol |
| SMILES | C1(OC=2C(N1CC)=CC=CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.805823 |