[5-Methyl-2-(trifluoromethyl)-3-furyl][(6R)-6-(2-pyrazinyloxy)-1,4-oxazepan-4-yl]methanone

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Systematic / IUPAC Name: [5-Methyl-2-(trifluoromethyl)furan-3-yl]-[(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]methanone

ID: Reference11420

Other Names: NAT47-552306

Formula: C16H16F3N3O4

Spectral Data

[5-Methyl-2-(trifluoromethyl)-3-furyl][(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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 940
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/26/2022 8:15:55 AM
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Identificators

InChI InChI=1S/C16H16F3N3O4/c1-10-6-12(14(25-10)16(17,18)19)15(23)22-4-5-24-9-11(8-22)26-13-7-20-2-3-21-13/h2-3,6-7,11H,4-5,8-9H2,1H3/t11-/m1/s1
InChI Key UDZWPGBAOVBNRI-LLVKDONJSA-N
Canonical SMILES CC1=CC(=C(O1)C(F)(F)F)C(=O)N2CCOCC(C2)OC3=NC=CN=C3
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Other Names NAT47-552306

In Other Databases

ChEMBL CHEMBL3437309
ChemSpider 29855490
PubChem 75536897