| SpectraBase Compound ID | EHjQ3IdbrmC |
|---|---|
| InChI | InChI=1S/C15H31NO/c1-6-8-9-10-11-16(14(5)7-2)15(17)12-13(3)4/h13-14H,6-12H2,1-5H3 |
| InChIKey | PBAXVFRWGAZHJK-UHFFFAOYSA-N |
| Mol Weight | 241.42 g/mol |
| Molecular Formula | C15H31NO |
| Exact Mass | 241.240565 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1j6Htwl7VUA |
|---|---|
| Name | Isovaleramide, N-(2-butyl)-N-hexyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.240564621 u |
| Formula | C15H31NO |
| InChI | InChI=1S/C15H31NO/c1-6-8-9-10-11-16(14(5)7-2)15(17)12-13(3)4/h13-14H,6-12H2,1-5H3 |
| InChIKey | PBAXVFRWGAZHJK-UHFFFAOYSA-N |
| Molecular Weight | 241.419 g/mol |
| SMILES | C(N(CCCCCC)C(CC)C)(=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975553 |