| SpectraBase Compound ID | DTWJJ3E6IlZ |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-7-9-10-11-17(3)22(16-8-2)20(23)18-12-14-19(15-13-18)21(4,5)6/h12-15,17H,7-11,16H2,1-6H3 |
| InChIKey | ALSPNVJLZBQOQG-UHFFFAOYSA-N |
| Mol Weight | 317.5 g/mol |
| Molecular Formula | C21H35NO |
| Exact Mass | 317.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HW1g4bIQpDO |
|---|---|
| Name | Benzamide, 4-tert-butyl-N-propyl-N-(hept-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.271864750 u |
| Formula | C21H35NO |
| InChI | InChI=1S/C21H35NO/c1-7-9-10-11-17(3)22(16-8-2)20(23)18-12-14-19(15-13-18)21(4,5)6/h12-15,17H,7-11,16H2,1-6H3 |
| InChIKey | ALSPNVJLZBQOQG-UHFFFAOYSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C1(=CC=C(C=C1)C(N(CCC)C(CCCCC)C)=O)C(C)(C)C |