![2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[4-[(phenylmethyl)amino]phenoxy]-](/api/spectrum/HXfrbK5iRJg/structure.png?h=300&w=458 "2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[4-[(phenylmethyl)amino]phenoxy]-")
| SpectraBase Compound ID | 1JkN7j05Vhb |
|---|---|
| InChI | InChI=1S/C44H52N2O4/c1-7-43(3,4)32-20-25-39(38(28-32)44(5,6)8-2)49-27-15-14-26-45-42(48)37-29-40(35-18-12-13-19-36(35)41(37)47)50-34-23-21-33(22-24-34)46-30-31-16-10-9-11-17-31/h9-13,16-25,28-29,46-47H,7-8,14-15,26-27,30H2,1-6H3,(H,45,48) |
| InChIKey | JDDYIYDWGBYBQP-UHFFFAOYSA-N |
| Mol Weight | 672.9 g/mol |
| Molecular Formula | C44H52N2O4 |
| Exact Mass | 672.392708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXfrbK5iRJg |
|---|---|
| Name | 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[4-[(phenylmethyl)amino]phenoxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 672.392708158 u |
| Formula | C44H52N2O4 |
| InChI | InChI=1S/C44H52N2O4/c1-7-43(3,4)32-20-25-39(38(28-32)44(5,6)8-2)49-27-15-14-26-45-42(48)37-29-40(35-18-12-13-19-36(35)41(37)47)50-34-23-21-33(22-24-34)46-30-31-16-10-9-11-17-31/h9-13,16-25,28-29,46-47H,7-8,14-15,26-27,30H2,1-6H3,(H,45,48) |
| InChIKey | JDDYIYDWGBYBQP-UHFFFAOYSA-N |
| Molecular Weight | 672.910 g/mol |
| SMILES | CCC(C)(C)C1=CC=C(OCCCCNC(=O)C2=CC(OC3=CC=C(NCC4=CC=CC=C4)C=C3)=C3C=CC=CC3=C2O)C(=C1)C(C)(C)CC |