| SpectraBase Spectrum ID |
JLjjeIpYA3Y |
| Name |
2-Naphthalenecarboxamide, 4-amino-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-N-ethyl-1-hydroxy-3-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
594.382143475 u |
| Formula |
C39H50N2O3 |
| InChI |
InChI=1S/C39H50N2O3/c1-8-38(4,5)28-22-23-32(31(26-28)39(6,7)9-2)44-25-17-16-24-41(10-3)37(43)34-33(27-18-12-11-13-19-27)35(40)29-20-14-15-21-30(29)36(34)42/h11-15,18-23,26,42H,8-10,16-17,24-25,40H2,1-7H3 |
| InChIKey |
RJNHGWSTDNPOFX-UHFFFAOYSA-N |
| Molecular Weight |
594.840 g/mol |
| SMILES |
CCN(CCCCOC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)C(=O)C1=C(O)C=2C=CC=CC2C(N)=C1C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871795 |
![2-Naphthalenecarboxamide, 4-amino-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-N-ethyl-1-hydroxy-3-phenyl-](/api/spectrum/JLjjeIpYA3Y/structure.png?h=300&w=458 "2-Naphthalenecarboxamide, 4-amino-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-N-ethyl-1-hydroxy-3-phenyl-")
