| SpectraBase Spectrum ID |
KIap6JAOE8I |
| Name |
2-Naphthalenecarboxamide, N-[2-[4-(benzoylheptylamino)phenyl]ethyl]-4-chloro-1-hydroxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
542.233620692 u |
| Formula |
C33H35ClN2O3 |
| InChI |
InChI=1S/C33H35ClN2O3/c1-2-3-4-5-11-22-36(33(39)25-12-7-6-8-13-25)26-18-16-24(17-19-26)20-21-35-32(38)29-23-30(34)27-14-9-10-15-28(27)31(29)37/h6-10,12-19,23,37H,2-5,11,20-22H2,1H3,(H,35,38) |
| InChIKey |
QWHLPAMJXFQPEA-UHFFFAOYSA-N |
| Molecular Weight |
543.107 g/mol |
| SMILES |
CCCCCCCN(C(=O)C1=CC=CC=C1)C1=CC=C(CCNC(=O)C2=CC(Cl)=C3C=CC=CC3=C2O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842869 |
![2-Naphthalenecarboxamide, N-[2-[4-(benzoylheptylamino)phenyl]ethyl]-4-chloro-1-hydroxy-](/api/spectrum/KIap6JAOE8I/structure.png?h=300&w=458 "2-Naphthalenecarboxamide, N-[2-[4-(benzoylheptylamino)phenyl]ethyl]-4-chloro-1-hydroxy-")
