| SpectraBase Spectrum ID |
32VnmC6jQLf |
| Name |
Hexanamide, 2-[3,5-bis(1,1-dimethylpropyl)phenoxy]-N-(4-cyanophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.308978534 u |
| Formula |
C29H40N2O2 |
| InChI |
InChI=1S/C29H40N2O2/c1-8-11-12-26(27(32)31-24-15-13-21(20-30)14-16-24)33-25-18-22(28(4,5)9-2)17-23(19-25)29(6,7)10-3/h13-19,26H,8-12H2,1-7H3,(H,31,32) |
| InChIKey |
JAMUVVFHMAJMEC-UHFFFAOYSA-N |
| Molecular Weight |
448.651 g/mol |
| SMILES |
CCCCC(OC1=CC(=CC(=C1)C(C)(C)CC)C(C)(C)CC)C(=O)NC1=CC=C(C#N)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933112 |
![Hexanamide, 2-[3,5-bis(1,1-dimethylpropyl)phenoxy]-N-(4-cyanophenyl)-](/api/spectrum/32VnmC6jQLf/structure.png?h=300&w=458 "Hexanamide, 2-[3,5-bis(1,1-dimethylpropyl)phenoxy]-N-(4-cyanophenyl)-")
