| SpectraBase Compound ID | 2hkN4jJUkHx |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-3-4-5-11-6-8-12(9-7-11)13-10(2)14/h6-9H,3-5H2,1-2H3,(H,13,14) |
| InChIKey | GDQKURDANTWHBA-UHFFFAOYSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4Lob2Jvp44K |
|---|---|
| Name | Acetamide, N-(4-butylphenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c1-3-4-5-11-6-8-12(9-7-11)13-10(2)14/h6-9H,3-5H2,1-2H3,(H,13,14) |
| InChIKey | GDQKURDANTWHBA-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C(CCC)C1=CC=C(C=C1)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936718 |