| SpectraBase Compound ID | 1mn01hNQ0Fc |
|---|---|
| InChI | InChI=1S/C17H27NO2/c1-13(2)8-10-18-16-7-5-6-15(12-16)17(19)20-11-9-14(3)4/h5-7,12-14,18H,8-11H2,1-4H3 |
| InChIKey | WUTNBMJQISKMNE-UHFFFAOYSA-N |
| Mol Weight | 277.41 g/mol |
| Molecular Formula | C17H27NO2 |
| Exact Mass | 277.204179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5qrrVhGo7x8 |
|---|---|
| Name | Benzoic acid, 3-(3-methylbutyl)amino-, 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.204179111 u |
| Formula | C17H27NO2 |
| InChI | InChI=1S/C17H27NO2/c1-13(2)8-10-18-16-7-5-6-15(12-16)17(19)20-11-9-14(3)4/h5-7,12-14,18H,8-11H2,1-4H3 |
| InChIKey | WUTNBMJQISKMNE-UHFFFAOYSA-N |
| Molecular Weight | 277.408 g/mol |
| SMILES | C1=C(C=CC=C1C(OCCC(C)C)=O)NCCC(C)C |