| SpectraBase Compound ID | 4XpDEoLNXTh |
|---|---|
| InChI | InChI=1S/C18H29NO/c1-3-4-6-11-16(2)19-18(20)15-10-9-14-17-12-7-5-8-13-17/h5,7-8,12-13,16H,3-4,6,9-11,14-15H2,1-2H3,(H,19,20) |
| InChIKey | SUKLZCLBCAHKED-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 | FIUrETbhLji |
|---|---|
| Name | Valeramide, 5-phenyl-N-hept-2-yl- |
| 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/c1-3-4-6-11-16(2)19-18(20)15-10-9-14-17-12-7-5-8-13-17/h5,7-8,12-13,16H,3-4,6,9-11,14-15H2,1-2H3,(H,19,20) |
| InChIKey | SUKLZCLBCAHKED-UHFFFAOYSA-N |
| SMILES | C(=O)(NC(CCCCC)C)CCCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960796 |