| SpectraBase Compound ID | JFKrjRHEqqy |
|---|---|
| InChI | InChI=1S/C9H12N2O2/c1-11(2)9(13)10-7-5-3-4-6-8(7)12/h3-6,12H,1-2H3,(H,10,13) |
| InChIKey | VYKYSTWKUAETPR-UHFFFAOYSA-N |
| Mol Weight | 180.21 g/mol |
| Molecular Formula | C9H12N2O2 |
| Exact Mass | 180.089878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fqb8MA2cxj3 |
|---|---|
| Name | Karbutilate -C5H9NO P346 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.089877632 u |
| Formula | C9H12N2O2 |
| InChI | InChI=1S/C9H12N2O2/c1-11(2)9(13)10-7-5-3-4-6-8(7)12/h3-6,12H,1-2H3,(H,10,13) |
| InChIKey | VYKYSTWKUAETPR-UHFFFAOYSA-N |
| Molecular Weight | 180.207 g/mol |
| SMILES | CN(C(=O)NC=1C(=CC=CC1)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917958 |