![pa-B7:0 [5-(3,4-Methylenedioxyphenyl)heptylisobutylamide]](/api/spectrum/AGIKD4F3HhE/structure.png?h=300&w=458 "pa-B7:0 [5-(3,4-Methylenedioxyphenyl)heptylisobutylamide]")
| SpectraBase Compound ID | 11zzX9kUBim |
|---|---|
| InChI | InChI=1S/C18H27NO3/c1-14(2)12-19-18(20)8-6-4-3-5-7-15-9-10-16-17(11-15)22-13-21-16/h9-11,14H,3-8,12-13H2,1-2H3,(H,19,20) |
| InChIKey | QCUJLQWNPVNRDJ-UHFFFAOYSA-N |
| Mol Weight | 305.42 g/mol |
| Molecular Formula | C18H27NO3 |
| Exact Mass | 305.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AGIKD4F3HhE |
|---|---|
| Name | pa-B7:0 [5-(3,4-Methylenedioxyphenyl)heptylisobutylamide] |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.199093730 u |
| Formula | C18H27NO3 |
| InChI | InChI=1S/C18H27NO3/c1-14(2)12-19-18(20)8-6-4-3-5-7-15-9-10-16-17(11-15)22-13-21-16/h9-11,14H,3-8,12-13H2,1-2H3,(H,19,20) |
| InChIKey | QCUJLQWNPVNRDJ-UHFFFAOYSA-N |
| SMILES | C12=C(OCO2)C=CC(=C1)CCCCCCC(NCC(C)C)=O |