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trans-7,8-dimethoxy-2-phenyl-4,4a,5,10-tetrahydro-1H-[1,3,4,2]oxadiazaphosphinino[4,5-b]isoquinoline 2-oxide
SpectraBase Compound ID 6AzwcamOnQg
InChI InChI=1S/C18H21N2O4P/c1-22-17-9-13-8-15-12-24-25(21,16-6-4-3-5-7-16)19-20(15)11-14(13)10-18(17)23-2/h3-7,9-10,15H,8,11-12H2,1-2H3,(H,19,21)/t15-,25-/m1/s1
InChIKey FDBHKCTZSLBTRE-SGANQWHYSA-N
Mol Weight 360.35 g/mol
Molecular Formula C18H21N2O4P
Exact Mass 360.123894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrRXv7ER0C
Name trans-7,8-dimethoxy-2-phenyl-4,4a,5,10-tetrahydro-1H-[1,3,4,2]oxadiazaphosphinino[4,5-b]isoquinoline 2-oxide
Alternate Name(s) (2R,4aR)-7,8-dimethoxy-2-phenyl-1,4,4a,5,10-pentahydro-[1,3,4,2]oxadiazaphosphinino[4,5-b]isoquinoline 2-oxide
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Formula C18H21N2O4P
InChI InChI=1S/C18H21N2O4P/c1-22-17-9-13-8-15-12-24-25(21,16-6-4-3-5-7-16)19-20(15)11-14(13)10-18(17)23-2/h3-7,9-10,15H,8,11-12H2,1-2H3,(H,19,21)/t15-,25-/m1/s1
InChIKey FDBHKCTZSLBTRE-SGANQWHYSA-N
Literature Reference DOI 10.1002/rcm.2771
Molecular Weight 360.350 g/mol
SMILES N1N2Cc3cc(c(cc3C[C@@]2(CO[P@@]1(c1ccccc1)=O)[H])OC)OC
SPLASH splash10-0006-2924000000-91271659b76ea481a6af
Source of Spectrum RCM-20-3597-6a
Wiley ID 1820467