| SpectraBase Compound ID | H27VZaFwshP |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3,(H,11,13) |
| InChIKey | MARUKTRRDHIKNY-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2wt5fvCGNuo |
|---|---|
| Name | 3-Hydroxy-butansaeureanilid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.094628661 u |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6,8,12H,7H2,1H3,(H,11,13) |
| InChIKey | MARUKTRRDHIKNY-UHFFFAOYSA-N |
| Molecular Weight | 179.219 g/mol |
| SMILES | C1=CC=C(C=C1)NC(CC(C)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976013 |