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

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

ID: Reference11794

Other Names: NAT47-552186

Formula: C14H19NO5S

Spectral Data

1-{(6R)-6-[4-(Methylsulfonyl)phenoxy]-1,4-oxazepan-4-yl}ethanone 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 594
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/29/2022 8:24:37 AM
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Identificators

InChI InChI=1S/C14H19NO5S/c1-11(16)15-7-8-19-10-13(9-15)20-12-3-5-14(6-4-12)21(2,17)18/h3-6,13H,7-10H2,1-2H3/t13-/m1/s1
InChI Key DSVXQAUQFJXTOB-CYBMUJFWSA-N
Canonical SMILES CC(=O)N1CCOCC(C1)OC2=CC=C(C=C2)S(=O)(=O)C
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Other Names NAT47-552186

In Other Databases

ChemSpider 29855457
PubChem 75536888