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2-(4-nitrophenyl)-4a-phenyl-5,6,7,8,9,10-hexahydro-[1,3,4]oxadiazino[4,5-b]isoquinolin-4-one

View entire compound with spectra: 1 MS (GC)

2-(4-nitrophenyl)-4a-phenyl-5,6,7,8,9,10-hexahydro-[1,3,4]oxadiazino[4,5-b]isoquinolin-4-one
SpectraBase Compound ID 2r3fx3JTzoI
InChI InChI=1S/C23H21N3O4/c27-22-23(19-8-2-1-3-9-19)14-17-6-4-5-7-18(17)15-25(23)24-21(30-22)16-10-12-20(13-11-16)26(28)29/h1-3,8-13H,4-7,14-15H2
InChIKey NANMJAFUYKJPQI-UHFFFAOYSA-N
Mol Weight 403.44 g/mol
Molecular Formula C23H21N3O4
Exact Mass 403.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4PGhTg900tp
Name 2-(4-nitrophenyl)-4a-phenyl-5,6,7,8,9,10-hexahydro-[1,3,4]oxadiazino[4,5-b]isoquinolin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21N3O4
InChI InChI=1S/C23H21N3O4/c27-22-23(19-8-2-1-3-9-19)14-17-6-4-5-7-18(17)15-25(23)24-21(30-22)16-10-12-20(13-11-16)26(28)29/h1-3,8-13H,4-7,14-15H2
InChIKey NANMJAFUYKJPQI-UHFFFAOYSA-N
Molecular Weight 403.438 g/mol
SMILES C12(N(N=C(OC2=O)c2ccc(N(=O)=O)cc2)CC2=C(C1)CCCC2)c1ccccc1
SPLASH splash10-0a4i-2290200000-ea94b72a8b944679a2e2
Source of Spectrum K-126-1747-7
Synonyms 2-(4-nitrophenyl)-4a-phenyl-5,6,7,8,9,10-hexahydro-[1,3,4]oxadiazin[4,5-b]isoquinolin-4-one
Wiley ID 1370901