| SpectraBase Compound ID | D6x514RApnj |
|---|---|
| InChI | InChI=1S/C9H11NO3/c1-7(6-11)8-4-2-3-5-9(8)10(12)13/h2-5,7,11H,6H2,1H3 |
| InChIKey | CIVPZPJJPWVVIP-UHFFFAOYSA-N |
| Mol Weight | 181.19 g/mol |
| Molecular Formula | C9H11NO3 |
| Exact Mass | 181.073893 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 | BFbBV6lLd8k |
|---|---|
| Name | 2-(2-Nitro-phenyl)-propan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.073893215 u |
| Formula | C9H11NO3 |
| InChI | InChI=1S/C9H11NO3/c1-7(6-11)8-4-2-3-5-9(8)10(12)13/h2-5,7,11H,6H2,1H3 |
| InChIKey | CIVPZPJJPWVVIP-UHFFFAOYSA-N |
| Molecular Weight | 181.191 g/mol |
| SMILES | C=1(N(=O)=O)C(C(CO)C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94611 |