(4aR,7aS)-6-[(4-Methoxyphenyl)sulfonyl]-4-[3-(trifluoromethyl)benzyl]hexahydropyrrolo[3,4-b][1,4]oxazin-3(2H)-one

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Systematic / IUPAC Name: (4aR,7aS)-6-(4-Methoxyphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one

ID: Reference9594

Other Names: Pyrrolo[3,4-b]-1,4-oxazin-3(2H)-one, hexahydro-6-[(4-methoxyphenyl)sulfonyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-, (4aR,7aS)-;
NAT37-511631

Formula: C21H21F3N2O5S

Spectral Data

(4aR,7aS)-6-[(4-Methoxyphenyl)sulfonyl]-4-[3-(trifluoromethyl)benzyl]hexahydropyrrolo[3,4-b][1,4]oxazin-3(2H)-one 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 618
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/15/2020 8:43:26 AM
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Identificators

InChI InChI=1S/C21H21F3N2O5S/c1-30-16-5-7-17(8-6-16)32(28,29)25-11-18-19(12-25)31-13-20(27)26(18)10-14-3-2-4-15(9-14)21(22,23)24/h2-9,18-19H,10-13H2,1H3/t18-,19+/m1/s1
InChI Key QFOKWKWRRKUOAG-MOPGFXCFSA-N
Canonical SMILES COC1=CC=C(C=C1)S(=O)(=O)N2CC3C(C2)OCC(=O)N3CC4=CC(=CC=C4)C(F)(F)F
CAS
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Other Names Pyrrolo[3,4-b]-1,4-oxazin-3(2H)-one, hexahydro-6-[(4-methoxyphenyl)sulfonyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-, (4aR,7aS)-;
NAT37-511631

In Other Databases

ChemSpider 29852479
PubChem 56775328