| SpectraBase Compound ID | IPL3j3S5rWI |
|---|---|
| InChI | InChI=1S/C19H33N3/c1-17(2)21-12-10-20(16-19-8-6-5-7-9-19)11-13-22(15-14-21)18(3)4/h5-9,17-18H,10-16H2,1-4H3 |
| InChIKey | VNOGGUSPLKIDSW-UHFFFAOYSA-N |
| Mol Weight | 303.5 g/mol |
| Molecular Formula | C19H33N3 |
| Exact Mass | 303.267448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3kfe6JG9Aiu |
|---|---|
| Name | 1,4-Diisopropyl-7-benzyl-1,4,7-triazacyclononane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.267448075 u |
| Formula | C19H33N3 |
| InChI | InChI=1S/C19H33N3/c1-17(2)21-12-10-20(16-19-8-6-5-7-9-19)11-13-22(15-14-21)18(3)4/h5-9,17-18H,10-16H2,1-4H3 |
| InChIKey | VNOGGUSPLKIDSW-UHFFFAOYSA-N |
| SMILES | C1N(CCN(CCN(C1)C(C)C)CC=1C=CC=CC1)C(C)C |