Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
infrared absorption spectroscopy (IR)
mass spectrometry (MS)
nfdi4chem-mol5317 (Unknown Molecule)
Chemical Information
| InChI | InChI=1S/C42H42N2O4/c1-41(2,3)47-39(45)43-37-23-13-29(14-24-37)7-21-35-27-31-9-17-33(35)19-11-32-10-18-34(20-12-31)36(28-32)22-8-30-15-25-38(26-16-30)44-40(46)48-42(4,5)6/h9-10,13-18,23-28H,11-12,19-20H2,1-6H3,(H,43,45)(H,44,46) |
|---|---|
| SMILES | O=C(OC(C)(C)C)Nc1ccc(cc1)C#Cc1cc2CCc3ccc(CCc1cc2)cc3C#Cc1ccc(cc1)NC(=O)OC(C)(C)C |
| InChI Key | NDUGTGLDAZLQQQ-UHFFFAOYSA-N |
| Exact Mass | 638.794 g/mol |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol5317 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 178203819 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |