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

enlarge

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

ID: Reference12903

Other Names: NAT47-552447

Formula: C20H25NO5S

Spectral Data

(6R)-4-(4-Methoxybenzyl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 450
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 12/12/2023 1:18:09 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H25NO5S/c1-24-17-5-3-16(4-6-17)13-21-11-12-25-15-19(14-21)26-18-7-9-20(10-8-18)27(2,22)23/h3-10,19H,11-15H2,1-2H3/t19-/m1/s1
InChI Key VBONOGUPJGPDLX-LJQANCHMSA-N
Canonical SMILES COC1=CC=C(C=C1)CN2CCOCC(C2)OC3=CC=C(C=C3)S(=O)(=O)C
CAS
Splash
Other Names NAT47-552447

In Other Databases

PubChem 75367721
ChemSpider 29855536