| SpectraBase Spectrum ID |
IWqIrOoePkp |
| Name |
N-{2-{3-Amino-4-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}benzamido}ethyl}-1-hydroxy-2-naphthamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
597.320271492 u |
| Formula |
C36H43N3O5 |
| InChI |
InChI=1S/C36H43N3O5/c1-35(2,3)23-36(4,5)26-12-14-27(15-13-26)43-20-21-44-31-17-11-25(22-30(31)37)33(41)38-18-19-39-34(42)29-16-10-24-8-6-7-9-28(24)32(29)40/h6-17,22,40H,18-21,23,37H2,1-5H3,(H,38,41)(H,39,42) |
| InChIKey |
LLMBVBSHMVRUFW-UHFFFAOYSA-N |
| Molecular Weight |
597.756 g/mol |
| SMILES |
N(C(C1=CC=C(C(=C1)N)OCCOC=1C=CC(=CC1)C(CC(C)(C)C)(C)C)=O)CCNC(C1=CC=C2C=CC=CC2=C1O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.984168 |
![N-{2-{3-amino-4-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}benzamido}ethyl}-1-hydroxy-2-naphthamide](/api/spectrum/IWqIrOoePkp/structure.png?h=300&w=458 "N-{2-{3-amino-4-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}benzamido}ethyl}-1-hydroxy-2-naphthamide")
