(4aR,7aS)-4-(4-Fluorobenzyl)-6-(1,2-oxazol-5-ylcarbonyl)hexahydropyrrolo[3,4-b][1,4]oxazin-3(2H)-one
12545
Reference
(4aR,7aS)-4-(4-Fluorobenzyl)-6-(1,2-oxazol-5-ylcarbonyl)hexahydropyrrolo[3,4-b][1,4]oxazin-3(2H)-one Structure
Systematic / IUPAC Name: (4aR,7aS)-4-[(4-Fluorophenyl)methyl]-6-(1,2-oxazole-5-carbonyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
ID: Reference12545
Other Names: NAT37-510677
Formula: C17H16FN3O4
Spectral Data
(4aR,7aS)-4-(4-Fluorobenzyl)-6-(1,2-oxazol-5-ylcarbonyl)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 | 569 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/22/2023 1:14:51 PM |
Identificators
| InChI | InChI=1S/C17H16FN3O4/c18-12-3-1-11(2-4-12)7-21-13-8-20(9-15(13)24-10-16(21)22)17(23)14-5-6-19-25-14/h1-6,13,15H,7-10H2/t13-,15+/m1/s1 |
| InChI Key | VCWNLVLFIZZTLZ-HIFRSBDPSA-N |
| Canonical SMILES | C1C2C(CN1C(=O)C3=CC=NO3)OCC(=O)N2CC4=CC=C(C=C4)F |
| CAS | |
| Splash | |
| Other Names | NAT37-510677 |