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

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

ID: Reference9717

Other Names: Pyrrolo[3,4-b]-1,4-oxazin-3(2H)-one, hexahydro-6-(3-pyridinylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-, (4aR,7aS)-;
NAT37-484681

Formula: C20H20F3N3O2

Spectral Data

(4aR,7aS)-6-(3-Pyridinylmethyl)-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 2
No. of Spectra 700
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2020 7:06:23 AM
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Identificators

InChI InChI=1S/C20H20F3N3O2/c21-20(22,23)16-5-1-3-14(7-16)10-26-17-11-25(9-15-4-2-6-24-8-15)12-18(17)28-13-19(26)27/h1-8,17-18H,9-13H2/t17-,18+/m1/s1
InChI Key OMCSVPNOTSZQOU-MSOLQXFVSA-N
Canonical SMILES C1C2C(CN1CC3=CN=CC=C3)OCC(=O)N2CC4=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-(3-pyridinylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-, (4aR,7aS)-;
NAT37-484681

In Other Databases

ChemSpider 29852291
PubChem 56775131