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

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Systematic / IUPAC Name: [(6R)-6-(4-Methylsulfonylphenoxy)-1,4-oxazepan-4-yl]-pyrazin-2-ylmethanone

ID: Reference12592

Other Names: NAT47-552191

Formula: C17H19N3O5S

Spectral Data

{(6R)-6-[4-(Methylsulfonyl)phenoxy]-1,4-oxazepan-4-yl}(2-pyrazinyl)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 1173
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/19/2023 9:01:28 AM
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Identificators

InChI InChI=1S/C17H19N3O5S/c1-26(22,23)15-4-2-13(3-5-15)25-14-11-20(8-9-24-12-14)17(21)16-10-18-6-7-19-16/h2-7,10,14H,8-9,11-12H2,1H3/t14-/m1/s1
InChI Key GBNIQAYDVVUHLQ-CQSZACIVSA-N
Canonical SMILES CS(=O)(=O)C1=CC=C(C=C1)OC2CN(CCOC2)C(=O)C3=NC=CN=C3
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Other Names NAT47-552191

In Other Databases

ChemSpider 29855459
PubChem 75367689