| SpectraBase Spectrum ID |
8YC5KC2mDkl |
| Name |
Heptanamide, 2-methyl-N-[1-(1,2,3,4,4A,9,10,10A-octahydro-1,4A-dimethyl-7-isopropylphenanthren-1-yl)methyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.350115072 u |
| Formula |
C28H45NO |
| InChI |
InChI=1S/C28H45NO/c1-7-8-9-11-21(4)26(30)29-19-27(5)16-10-17-28(6)24-14-12-22(20(2)3)18-23(24)13-15-25(27)28/h12,14,18,20-21,25H,7-11,13,15-17,19H2,1-6H3,(H,29,30) |
| InChIKey |
SCVDJYJBDJLKFS-UHFFFAOYSA-N |
| Molecular Weight |
411.674 g/mol |
| SMILES |
C1C2C(C=3C(C1)=CC(=CC3)C(C)C)(CCCC2(CNC(C(CCCCC)C)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925599 |
![Heptanamide, 2-methyl-N-[1-(1,2,3,4,4A,9,10,10A-octahydro-1,4A-dimethyl-7-isopropylphenanthren-1-yl)methyl]-](/api/spectrum/8YC5KC2mDkl/structure.png?h=300&w=458 "Heptanamide, 2-methyl-N-[1-(1,2,3,4,4A,9,10,10A-octahydro-1,4A-dimethyl-7-isopropylphenanthren-1-yl)methyl]-")
