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(1'S)-3-[1'-(benzyloxymethoxy)ethyl]-8-phenyl-1,6,8-triazabicyclo[4.3.0]non-3-ene-7,9-dione
SpectraBase Compound ID Iw79ceDtgiH
InChI InChI=1S/C22H23N3O4/c1-17(29-16-28-15-18-8-4-2-5-9-18)19-12-13-23-21(26)25(22(27)24(23)14-19)20-10-6-3-7-11-20/h2-12,17H,13-16H2,1H3/t17-/m0/s1
InChIKey KJKPPNAPQRDOIV-KRWDZBQOSA-N
Mol Weight 393.44 g/mol
Molecular Formula C22H23N3O4
Exact Mass 393.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUwHVd3vGou
Name (1'S)-3-[1'-(benzyloxymethoxy)ethyl]-8-phenyl-1,6,8-triazabicyclo[4.3.0]non-3-ene-7,9-dione
Alternate Name(s) 6-{(1S)-1-[(benzyloxy)methoxy]ethyl}-2-phenyl-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione
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Formula C22H23N3O4
InChI InChI=1S/C22H23N3O4/c1-17(29-16-28-15-18-8-4-2-5-9-18)19-12-13-23-21(26)25(22(27)24(23)14-19)20-10-6-3-7-11-20/h2-12,17H,13-16H2,1H3/t17-/m0/s1
InChIKey KJKPPNAPQRDOIV-KRWDZBQOSA-N
Molecular Weight 393.443 g/mol
SMILES C1(N(C(N2CC=C(CN12)[C@@](OCOCc1ccccc1)(C)[H])=O)c1ccccc1)=O
SPLASH splash10-0006-9100000000-10e9d10c92df6fcf3ec1
Source of Spectrum KC-1991-1899-28
Wiley ID 1366291