| SpectraBase Compound ID | 7m3FUFnFPuc |
|---|---|
| InChI | InChI=1S/C18H29NO/c1-2-3-4-5-6-10-16-19-18(20)15-11-14-17-12-8-7-9-13-17/h7-9,12-13H,2-6,10-11,14-16H2,1H3,(H,19,20) |
| InChIKey | OITYVORCSMZXPC-UHFFFAOYSA-N |
| Mol Weight | 275.44 g/mol |
| Molecular Formula | C18H29NO |
| Exact Mass | 275.224915 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GmD1QwKXDZb |
|---|---|
| Name | Butyramide, 4-phenyl-N-octyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.224914557 u |
| Formula | C18H29NO |
| InChI | InChI=1S/C18H29NO/c1-2-3-4-5-6-10-16-19-18(20)15-11-14-17-12-8-7-9-13-17/h7-9,12-13H,2-6,10-11,14-16H2,1H3,(H,19,20) |
| InChIKey | OITYVORCSMZXPC-UHFFFAOYSA-N |
| SMILES | C(NCCCCCCCC)(=O)CCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93309 |