2-Pyrazinyl{(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl}methanone

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Systematic / IUPAC Name: Pyrazin-2-yl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone

ID: Reference12559

Other Names: NAT47-548957

Formula: C17H16F3N3O3

Spectral Data

2-Pyrazinyl{(6R)-6-[4-(trifluoromethyl)phenoxy]-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 991
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2023 10:32:07 AM
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Identificators

InChI InChI=1S/C17H16F3N3O3/c18-17(19,20)12-1-3-13(4-2-12)26-14-10-23(7-8-25-11-14)16(24)15-9-21-5-6-22-15/h1-6,9,14H,7-8,10-11H2/t14-/m1/s1
InChI Key JDJMPCDIKJYBSE-CQSZACIVSA-N
Canonical SMILES C1COCC(CN1C(=O)C2=NC=CN=C2)OC3=CC=C(C=C3)C(F)(F)F
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Other Names NAT47-548957

In Other Databases

PubChem 75367670
ChemSpider 29855415