| SpectraBase Compound ID | KtnoytKhsdJ |
|---|---|
| InChI | InChI=1S/C10H13NO3/c1-7(2)14-10-6-8(3)4-5-9(10)11(12)13/h4-7H,1-3H3 |
| InChIKey | HVTKUNLQHNBWIQ-UHFFFAOYSA-N |
| Mol Weight | 195.22 g/mol |
| Molecular Formula | C10H13NO3 |
| Exact Mass | 195.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 71KkAMxYDGo |
|---|---|
| Name | 3-Isopropoxy-4-nitrotoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.089543280 u |
| Formula | C10H13NO3 |
| InChI | InChI=1S/C10H13NO3/c1-7(2)14-10-6-8(3)4-5-9(10)11(12)13/h4-7H,1-3H3 |
| InChIKey | HVTKUNLQHNBWIQ-UHFFFAOYSA-N |
| Molecular Weight | 195.218 g/mol |
| SMILES | C1(N(=O)=O)=C(C=C(C=C1)C)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816246 |