| SpectraBase Compound ID | HQthV2CXQ4E |
|---|---|
| InChI | InChI=1S/C16H33NO/c1-5-7-8-9-10-11-13-17(12-6-2)16(18)14-15(3)4/h15H,5-14H2,1-4H3 |
| InChIKey | IUTGOUIFFIIDSP-UHFFFAOYSA-N |
| Mol Weight | 255.4 g/mol |
| Molecular Formula | C16H33NO |
| Exact Mass | 255.256215 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GMPJ8uSM0MY |
|---|---|
| Name | Isovaleramide, N-propyl-N-octyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.256214686 u |
| Formula | C16H33NO |
| InChI | InChI=1S/C16H33NO/c1-5-7-8-9-10-11-13-17(12-6-2)16(18)14-15(3)4/h15H,5-14H2,1-4H3 |
| InChIKey | IUTGOUIFFIIDSP-UHFFFAOYSA-N |
| Molecular Weight | 255.446 g/mol |
| SMILES | C(N(CCC)CCCCCCCC)(=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959034 |