| SpectraBase Compound ID | 7Yaz4nPp6k0 |
|---|---|
| InChI | InChI=1S/C13H27NO/c1-3-5-7-8-9-10-12-14-13(15)11-6-4-2/h3-12H2,1-2H3,(H,14,15) |
| InChIKey | VIORIHDEIAPDDQ-UHFFFAOYSA-N |
| Mol Weight | 213.36 g/mol |
| Molecular Formula | C13H27NO |
| Exact Mass | 213.209264 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AZDNp8LZcdP |
|---|---|
| Name | Valeramide, N-octyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.209264492 u |
| Formula | C13H27NO |
| InChI | InChI=1S/C13H27NO/c1-3-5-7-8-9-10-12-14-13(15)11-6-4-2/h3-12H2,1-2H3,(H,14,15) |
| InChIKey | VIORIHDEIAPDDQ-UHFFFAOYSA-N |
| Molecular Weight | 213.365 g/mol |
| SMILES | CCCCC(NCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854749 |