| SpectraBase Compound ID | 4tgoPtMZJLx |
|---|---|
| InChI | InChI=1S/C9H12N2O3/c1-2-3-14-9-5-7(10)4-8(6-9)11(12)13/h4-6H,2-3,10H2,1H3 |
| InChIKey | KDLUGDUVEKCRJI-UHFFFAOYSA-N |
| Mol Weight | 196.21 g/mol |
| Molecular Formula | C9H12N2O3 |
| Exact Mass | 196.084792 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EQZKbCLz32c |
|---|---|
| Name | 3-Nitro-5-propoxyaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.084792251 u |
| Formula | C9H12N2O3 |
| InChI | InChI=1S/C9H12N2O3/c1-2-3-14-9-5-7(10)4-8(6-9)11(12)13/h4-6H,2-3,10H2,1H3 |
| InChIKey | KDLUGDUVEKCRJI-UHFFFAOYSA-N |
| SMILES | C1=C(C=C(C=C1N)N(=O)=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924454 |