Molecule
13C nuclear magnetic resonance spectroscopy (13C NMR)
19F nuclear magnetic resonance spectroscopy (19F NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
high-resolution electrospray ionisation mass spectrometry (HRESIMS)
3-benzyl-18-(trifluoromethyl)-8,13-dioxa-3,4,5-triazatetracyclo[10.8.0.02,6.015,20]icosa-1(12),2(6),4,15(20),16,18-hexaen-14-one
Chemical Information
| InChI | InChI=1S/C23H18F3N3O3/c24-23(25,26)15-8-9-16-17(11-15)20-19(32-22(16)30)7-4-10-31-13-18-21(20)29(28-27-18)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12-13H2 |
|---|---|
| SMILES | O=c1oc2CCCOCc3c(-c2c2c1ccc(c2)C(F)(F)F)n(nn3)Cc1ccccc1 |
| InChI Key | CJPBTJOQGUOURO-UHFFFAOYSA-N |
| Exact Mass | 441.403 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol1656 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 168301078 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |