![1-Butanamine, N-butyl-N-ethyl-4-[(3,5,5-trimethylhexyl)oxy]-](/api/spectrum/DkSyzFYRt2U/structure.png?h=300&w=458 "1-Butanamine, N-butyl-N-ethyl-4-[(3,5,5-trimethylhexyl)oxy]-")
| SpectraBase Compound ID | 817bmxZ7ZEz |
|---|---|
| InChI | InChI=1S/C19H41NO/c1-7-9-13-20(8-2)14-10-11-15-21-16-12-18(3)17-19(4,5)6/h18H,7-17H2,1-6H3 |
| InChIKey | MYYSXIATPSRKMH-UHFFFAOYSA-N |
| Mol Weight | 299.5 g/mol |
| Molecular Formula | C19H41NO |
| Exact Mass | 299.318815 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DkSyzFYRt2U |
|---|---|
| Name | 1-Butanamine, N-butyl-N-ethyl-4-[(3,5,5-trimethylhexyl)oxy]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.318814943 u |
| Formula | C19H41NO |
| InChI | InChI=1S/C19H41NO/c1-7-9-13-20(8-2)14-10-11-15-21-16-12-18(3)17-19(4,5)6/h18H,7-17H2,1-6H3 |
| InChIKey | MYYSXIATPSRKMH-UHFFFAOYSA-N |
| SMILES | CC(CC(CCOCCCCN(CC)CCCC)C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.980543 |