| SpectraBase Compound ID | LmlYx18nCsr |
|---|---|
| InChI | InChI=1S/C13H19NO/c1-3-4-5-6-12-7-9-13(10-8-12)14-11(2)15/h7-10H,3-6H2,1-2H3,(H,14,15) |
| InChIKey | PAVMUEQMDWQZSZ-UHFFFAOYSA-N |
| Mol Weight | 205.3 g/mol |
| Molecular Formula | C13H19NO |
| Exact Mass | 205.146664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BD2aTzXqs88 |
|---|---|
| Name | p-Pentylacetanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.146664235 u |
| Formula | C13H19NO |
| InChI | InChI=1S/C13H19NO/c1-3-4-5-6-12-7-9-13(10-8-12)14-11(2)15/h7-10H,3-6H2,1-2H3,(H,14,15) |
| InChIKey | PAVMUEQMDWQZSZ-UHFFFAOYSA-N |
| Molecular Weight | 205.301 g/mol |
| SMILES | C1=C(C=CC(=C1)CCCCC)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951547 |