| SpectraBase Compound ID | 3phqIcr1p24 |
|---|---|
| InChI | InChI=1S/C18H29NO/c1-4-5-6-10-13-19(18(20)14-16(2)3)15-17-11-8-7-9-12-17/h7-9,11-12,16H,4-6,10,13-15H2,1-3H3 |
| InChIKey | ZNRRJGVAPJJIKU-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 | 7UmZOm6z1u7 |
|---|---|
| Name | Isovaleramide, N-benzyl-N-hexyl- |
| 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/c1-4-5-6-10-13-19(18(20)14-16(2)3)15-17-11-8-7-9-12-17/h7-9,11-12,16H,4-6,10,13-15H2,1-3H3 |
| InChIKey | ZNRRJGVAPJJIKU-UHFFFAOYSA-N |
| SMILES | C(N(CCCCCC)CC1=CC=CC=C1)(=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963853 |