| SpectraBase Spectrum ID |
FLu3wRRu3AW |
| Name |
Benzamide, N-[4-(cyanomethyl)phenyl]-2-[[5-methyl-2-(1-methylethyl)phenoxy]methyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.199428083 u |
| Formula |
C26H26N2O2 |
| InChI |
InChI=1S/C26H26N2O2/c1-18(2)23-13-8-19(3)16-25(23)30-17-21-6-4-5-7-24(21)26(29)28-22-11-9-20(10-12-22)14-15-27/h4-13,16,18H,14,17H2,1-3H3,(H,28,29) |
| InChIKey |
VEMSYPZPKDPLHL-UHFFFAOYSA-N |
| Molecular Weight |
398.506 g/mol |
| SMILES |
C1=CC(COC2=CC(C)=CC=C2C(C)C)=C(C=C1)C(=O)NC=1C=CC(CC#N)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878686 |
![Benzamide, N-[4-(cyanomethyl)phenyl]-2-[[5-methyl-2-(1-methylethyl)phenoxy]methyl]-](/api/spectrum/FLu3wRRu3AW/structure.png?h=300&w=458 "Benzamide, N-[4-(cyanomethyl)phenyl]-2-[[5-methyl-2-(1-methylethyl)phenoxy]methyl]-")
