| SpectraBase Compound ID | 85hYHSAM7F8 |
|---|---|
| InChI | InChI=1S/C18H29NO/c1-2-3-4-5-11-16-19-18(20)15-10-9-14-17-12-7-6-8-13-17/h6-8,12-13H,2-5,9-11,14-16H2,1H3,(H,19,20) |
| InChIKey | DBTUECJYZNYYEZ-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 | DyH2WCJZ2Fl |
|---|---|
| Name | Valeramide, 5-phenyl-N-heptyl- |
| 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/c1-2-3-4-5-11-16-19-18(20)15-10-9-14-17-12-7-6-8-13-17/h6-8,12-13H,2-5,9-11,14-16H2,1H3,(H,19,20) |
| InChIKey | DBTUECJYZNYYEZ-UHFFFAOYSA-N |
| SMILES | C(=O)(NCCCCCCC)CCCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933867 |