| SpectraBase Compound ID | Fcr80lbCVGL |
|---|---|
| InChI | InChI=1S/C14H20N2O3/c1-4-6-11(3)15(5-2)14(17)12-7-9-13(10-8-12)16(18)19/h7-11H,4-6H2,1-3H3 |
| InChIKey | YGRGNCIEWPEXES-UHFFFAOYSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C14H20N2O3 |
| Exact Mass | 264.147393 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K1Z6Pi0IjjE |
|---|---|
| Name | Benzamide, 4-nitro-N-(2-pentyl)-N-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.147392509 u |
| Formula | C14H20N2O3 |
| InChI | InChI=1S/C14H20N2O3/c1-4-6-11(3)15(5-2)14(17)12-7-9-13(10-8-12)16(18)19/h7-11H,4-6H2,1-3H3 |
| InChIKey | YGRGNCIEWPEXES-UHFFFAOYSA-N |
| SMILES | C(N(C(CCC)C)C(C1=CC=C(C=C1)N(=O)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830693 |