(4aR,7aS)-4-Benzyl-6-[4-(trifluoromethyl)-2-pyrimidinyl]hexahydropyrrolo[3,4-b][1,4]oxazin-3(2H)-one
10751
Reference
(4aR,7aS)-4-Benzyl-6-[4-(trifluoromethyl)-2-pyrimidinyl]hexahydropyrrolo[3,4-b][1,4]oxazin-3(2H)-one Structure
Systematic / IUPAC Name: (4aR,7aS)-4-Benzyl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
ID: Reference10751
Other Names: NAT37-485734
Formula: C18H17F3N4O2
Spectral Data
(4aR,7aS)-4-Benzyl-6-[4-(trifluoromethyl)-2-pyrimidinyl]hexahydropyrrolo[3,4-b][1,4]oxazin-3(2H)-one 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 | 780 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/13/2021 5:55:29 AM |
Identificators
| InChI | InChI=1S/C18H17F3N4O2/c19-18(20,21)15-6-7-22-17(23-15)24-9-13-14(10-24)27-11-16(26)25(13)8-12-4-2-1-3-5-12/h1-7,13-14H,8-11H2/t13-,14+/m1/s1 |
| InChI Key | BBJJBHFTKYYGQY-KGLIPLIRSA-N |
| Canonical SMILES | C1C2C(CN1C3=NC=CC(=N3)C(F)(F)F)OCC(=O)N2CC4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT37-485734 |