![3-Acetylbenzo[d]oxazol-2(3H)-one](/api/spectrum/9VmVNLIW6VQ/structure.png?h=300&w=458 "3-Acetylbenzo[d]oxazol-2(3H)-one")
| SpectraBase Compound ID | 2F9C6Cm2T3C |
|---|---|
| InChI | InChI=1S/C9H7NO3/c1-6(11)10-7-4-2-3-5-8(7)13-9(10)12/h2-5H,1H3 |
| InChIKey | KIIQPJPWSJBTGN-UHFFFAOYSA-N |
| Mol Weight | 177.16 g/mol |
| Molecular Formula | C9H7NO3 |
| Exact Mass | 177.042593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9VmVNLIW6VQ |
|---|---|
| Name | 3-Acetylbenzo[D]oxazol-2(3H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.042593086 u |
| Formula | C9H7NO3 |
| InChI | InChI=1S/C9H7NO3/c1-6(11)10-7-4-2-3-5-8(7)13-9(10)12/h2-5H,1H3 |
| InChIKey | KIIQPJPWSJBTGN-UHFFFAOYSA-N |
| Molecular Weight | 177.159 g/mol |
| SMILES | C1(N(C=2C(O1)=CC=CC2)C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888574 |