(6R)-4-(4-Biphenylylmethyl)-6-[4-(methylsulfonyl)phenoxy]-1,4-oxazepane

Systematic / IUPAC Name: (6R)-6-(4-Methylsulfonylphenoxy)-4-[(4-phenylphenyl)methyl]-1,4-oxazepane

ID: Reference13052

Other Names: NAT47-552448

Formula: C25H27NO4S

Spectral Data

(6R)-4-(4-Biphenylylmethyl)-6-[4-(methylsulfonyl)phenoxy]-1,4-oxazepane 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 670
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 3/7/2024 1:08:27 PM
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Identificators

InChI InChI=1S/C25H27NO4S/c1-31(27,28)25-13-11-23(12-14-25)30-24-18-26(15-16-29-19-24)17-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-14,24H,15-19H2,1H3/t24-/m1/s1
InChI Key MVWUOBKIHRPVQF-XMMPIXPASA-N
Canonical SMILES CS(=O)(=O)C1=CC=C(C=C1)OC2CN(CCOC2)CC3=CC=C(C=C3)C4=CC=CC=C4
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Other Names NAT47-552448

In Other Databases

PubChem 75536919
ChemSpider 29855537