| SpectraBase Compound ID | K4nl0KzhZfa |
|---|---|
| InChI | InChI=1S/C9H9NO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3,(H2,10,12) |
| InChIKey | KGHXFBVYXDFJGG-UHFFFAOYSA-N |
| Mol Weight | 179.18 g/mol |
| Molecular Formula | C9H9NO3 |
| Exact Mass | 179.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DAT5M17uK0Y |
|---|---|
| Name | Benzamide, 2-(acetyloxy)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.058243151 u |
| Formula | C9H9NO3 |
| InChI | InChI=1S/C9H9NO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3,(H2,10,12) |
| InChIKey | KGHXFBVYXDFJGG-UHFFFAOYSA-N |
| Molecular Weight | 179.175 g/mol |
| SMILES | C1=CC(OC(=O)C)=C(C=C1)C(=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940296 |