Systematic / IUPAC Name: (4-Fluorophenyl)-[(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]methanone
ID: Reference12924
Other Names: NAT47-552322
Formula: C16H16FN3O3
(4-Fluorophenyl)[(6R)-6-(2-pyrazinyloxy)-1,4-oxazepan-4-yl]methanone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 738 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/12/2023 2:48:11 PM |
| InChI | InChI=1S/C16H16FN3O3/c17-13-3-1-12(2-4-13)16(21)20-7-8-22-11-14(10-20)23-15-9-18-5-6-19-15/h1-6,9,14H,7-8,10-11H2/t14-/m1/s1 |
| InChI Key | CCMUVYMGTJFDDU-CQSZACIVSA-N |
| Canonical SMILES | C1COCC(CN1C(=O)C2=CC=C(C=C2)F)OC3=NC=CN=C3 |
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| Other Names | NAT47-552322 |