Systematic / IUPAC Name: (6R)-6-(4-Methylsulfonylphenoxy)-4-[(4-phenylphenyl)methyl]-1,4-oxazepane
ID: Reference13052
Other Names: NAT47-552448
Formula: C25H27NO4S
(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.
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 |
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 |