Cyclopropyl{(6R)-6-[4-(methylsulfonyl)phenoxy]-1,4-oxazepan-4-yl}methanone

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Systematic / IUPAC Name: Cyclopropyl-[(6R)-6-(4-methylsulfonylphenoxy)-1,4-oxazepan-4-yl]methanone

ID: Reference11638

Other Names: NAT47-552193

Formula: C16H21NO5S

Spectral Data

Cyclopropyl{(6R)-6-[4-(methylsulfonyl)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 634
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/8/2022 10:32:12 AM
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Identificators

InChI InChI=1S/C16H21NO5S/c1-23(19,20)15-6-4-13(5-7-15)22-14-10-17(8-9-21-11-14)16(18)12-2-3-12/h4-7,12,14H,2-3,8-11H2,1H3/t14-/m1/s1
InChI Key KHEWEVHKSRKEHC-CQSZACIVSA-N
Canonical SMILES CS(=O)(=O)C1=CC=C(C=C1)OC2CN(CCOC2)C(=O)C3CC3
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Other Names NAT47-552193

In Other Databases

ChemSpider 29855460
PubChem 75536890