| SpectraBase Compound ID | D3xrq5iIE8t |
|---|---|
| InChI | InChI=1S/C13H27NO/c1-6-7-8-14-12(15)9-11(2)10-13(3,4)5/h11H,6-10H2,1-5H3,(H,14,15) |
| InChIKey | CNLWPSKWTGIFLN-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 | J1oOpHNK1PF |
|---|---|
| Name | Hexanamide, 3,5,5-trimethyl-N-butyl- |
| 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/c1-6-7-8-14-12(15)9-11(2)10-13(3,4)5/h11H,6-10H2,1-5H3,(H,14,15) |
| InChIKey | CNLWPSKWTGIFLN-UHFFFAOYSA-N |
| Molecular Weight | 213.365 g/mol |
| SMILES | C(=O)(NCCCC)CC(CC(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900552 |