4-{[(6R)-6-(2-Pyrazinyloxy)-1,4-oxazepan-4-yl]carbonyl}benzonitrile

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Systematic / IUPAC Name: 4-[(6R)-6-Pyrazin-2-yloxy-1,4-oxazepane-4-carbonyl]benzonitrile

ID: Reference11378

Other Names: NAT47-552317

Formula: C17H16N4O3

Spectral Data

4-{[(6R)-6-(2-Pyrazinyloxy)-1,4-oxazepan-4-yl]carbonyl}benzonitrile 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 765
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/5/2022 2:16:01 PM
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Identificators

InChI InChI=1S/C17H16N4O3/c18-9-13-1-3-14(4-2-13)17(22)21-7-8-23-12-15(11-21)24-16-10-19-5-6-20-16/h1-6,10,15H,7-8,11-12H2/t15-/m1/s1
InChI Key HCSKCSWGRUVORA-OAHLLOKOSA-N
Canonical SMILES C1COCC(CN1C(=O)C2=CC=C(C=C2)C#N)OC3=NC=CN=C3
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Other Names NAT47-552317

In Other Databases

ChEMBL CHEMBL3437346
ChemSpider 29855493
PubChem 75536899