(4aS,7aR)-3-(4-Phenoxyphenyl)-5-[4-(trifluoromethyl)benzoyl]tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,4aH)-dione
13082
Reference
(4aS,7aR)-3-(4-Phenoxyphenyl)-5-[4-(trifluoromethyl)benzoyl]tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,4aH)-dione Structure
Systematic / IUPAC Name: (4aS,7aR)-3-(4-Phenoxyphenyl)-5-[4-(trifluoromethyl)benzoyl]-4a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
ID: Reference13082
Other Names: NAT3-313028
Formula: C26H20F3N3O4
Spectral Data
(4aS,7aR)-3-(4-Phenoxyphenyl)-5-[4-(trifluoromethyl)benzoyl]tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,4aH)-dione mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2400 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/28/2024 9:51:14 AM |
Identificators
| InChI | InChI=1S/C26H20F3N3O4/c27-26(28,29)17-8-6-16(7-9-17)23(33)31-15-14-21-22(31)24(34)32(25(35)30-21)18-10-12-20(13-11-18)36-19-4-2-1-3-5-19/h1-13,21-22H,14-15H2,(H,30,35)/t21-,22+/m1/s1 |
| InChI Key | ORSHJKLRFDRUMY-YADHBBJMSA-N |
| Canonical SMILES | C1CN(C2C1NC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT3-313028 |