| SpectraBase Spectrum ID |
7B7i9wBBvjT |
| Name |
PA-B7:0 [5-(3,4-Methylenedioxyphenyl)heptylisobutylamide] |
| Alternate Name(s) |
7-(1,3-benzodioxol-5-yl)-N-isobutyl-heptanamide
7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)heptanamide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| Molecular Weight |
305.418 g/mol |
| SMILES |
N(C(CCCCCCc1cc2c(OCO2)cc1)=O)CC(C)C |
| SPLASH |
splash10-052r-0907000000-06b1e110402856dfcd25 |
| Source of Spectrum |
E1-45-693-0 |
| Wiley ID |
1553834 |
![PA-B7:0 [5-(3,4-Methylenedioxyphenyl)heptylisobutylamide]](/api/spectrum/7B7i9wBBvjT/structure.png?h=300&w=458 "PA-B7:0 [5-(3,4-Methylenedioxyphenyl)heptylisobutylamide]")
