| SpectraBase Compound ID | 2GaSIpKBBYU |
|---|---|
| InChI | InChI=1S/C9H9NO3/c1-2-9(11)7-5-3-4-6-8(7)10(12)13/h3-6H,2H2,1H3 |
| InChIKey | IRECTDZFQAWHEC-UHFFFAOYSA-N |
| Mol Weight | 179.17 g/mol |
| Molecular Formula | C9H9NO3 |
| Exact Mass | 179.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ha7PqwtkWli |
|---|---|
| Name | 1-(2-Nitrophenyl)-1-propanone |
| 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/c1-2-9(11)7-5-3-4-6-8(7)10(12)13/h3-6H,2H2,1H3 |
| InChIKey | IRECTDZFQAWHEC-UHFFFAOYSA-N |
| Molecular Weight | 179.175 g/mol |
| SMILES | C(CC)(=O)C=1C(=CC=CC1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887251 |