![Ethyl [2,6-bis(3-tert-butyloxycarbonylaminopropyl)-4'-pyren-1-ylbiphen-4-yl]acetate](/api/spectrum/IMD8mte25Ie/structure.png?h=300&w=458 "Ethyl [2,6-bis(3-tert-butyloxycarbonylaminopropyl)-4'-pyren-1-ylbiphen-4-yl]acetate")
| SpectraBase Compound ID | HJZ5yRsck9f |
|---|---|
| InChI | InChI=1S/C48H54N2O6/c1-8-54-42(51)30-41-36(14-10-26-49-45(52)55-47(2,3)4)28-38(29-37(41)15-11-27-50-46(53)56-48(5,6)7)31-16-18-32(19-17-31)39-24-22-35-21-20-33-12-9-13-34-23-25-40(39)44(35)43(33)34/h9,12-13,16-25,28-29H,8,10-11,14-15,26-27,30H2,1-7H3,(H,49,52)(H,50,53) |
| InChIKey | JYWBPWOPYWKIPY-UHFFFAOYSA-N |
| Mol Weight | 755.0 g/mol |
| Molecular Formula | C48H54N2O6 |
| Exact Mass | 754.398187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMD8mte25Ie |
|---|---|
| Name | Ethyl [2,6-bis(3-tert-butyloxycarbonylaminopropyl)-4'-pyren-1-ylbiphen-4-yl]acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 754.398187461 u |
| Formula | C48H54N2O6 |
| InChI | InChI=1S/C48H54N2O6/c1-8-54-42(51)30-41-36(14-10-26-49-45(52)55-47(2,3)4)28-38(29-37(41)15-11-27-50-46(53)56-48(5,6)7)31-16-18-32(19-17-31)39-24-22-35-21-20-33-12-9-13-34-23-25-40(39)44(35)43(33)34/h9,12-13,16-25,28-29H,8,10-11,14-15,26-27,30H2,1-7H3,(H,49,52)(H,50,53) |
| InChIKey | JYWBPWOPYWKIPY-UHFFFAOYSA-N |
| Molecular Weight | 754.968 g/mol |
| SMILES | C1=2C3=C4C(=CC=CC4=CC2)C=CC3=CC=C1C1=CC=C(C=2C=C(CCCNC(OC(C)(C)C)=O)C(=C(C2)CCCNC(OC(C)(C)C)=O)CC(=O)OCC)C=C1 |