| SpectraBase Compound ID | AHkxCE7JMsl |
|---|---|
| InChI | InChI=1S/C9H11NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h3-6,11H,1-2,7H2 |
| InChIKey | VSMANSLTTPNSMB-UHFFFAOYSA-N |
| Mol Weight | 181.19 g/mol |
| Molecular Formula | C9H11NO3 |
| Exact Mass | 181.073893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1BgUSKFAIph |
|---|---|
| Name | 3-(4-Nitrophenyl)-1-propanol |
| 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/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h3-6,11H,1-2,7H2 |
| InChIKey | VSMANSLTTPNSMB-UHFFFAOYSA-N |
| Molecular Weight | 181.191 g/mol |
| SMILES | C(CCC=1C=CC(=CC1)[N+](=O)[O-])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962711 |