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Diethyl (1RS,3aSR,6aSR)-5-Methyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole-1-phosphonate
SpectraBase Compound ID H4RTvne8Rug
InChI InChI=1S/C17H21N2O5P/c1-4-23-25(22,24-5-2)17(12-9-7-6-8-10-12)14-13(11-18-17)15(20)19(3)16(14)21/h6-11,13-14H,4-5H2,1-3H3/t13-,14+,17+/m1/s1
InChIKey KOZKGCYTRIIXBI-KEYYUXOJSA-N
Mol Weight 364.34 g/mol
Molecular Formula C17H21N2O5P
Exact Mass 364.118809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcZbm2B28hj
Name Diethyl (1RS,3aSR,6aSR)-5-Methyl-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole-1-phosphonate
Appearance Yellowish oil
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Formula C17H21N2O5P
InChI InChI=1S/C17H21N2O5P/c1-4-23-25(22,24-5-2)17(12-9-7-6-8-10-12)14-13(11-18-17)15(20)19(3)16(14)21/h6-11,13-14H,4-5H2,1-3H3/t13-,14+,17+/m1/s1
InChIKey KOZKGCYTRIIXBI-KEYYUXOJSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.9b02080
Molecular Weight 364.338 g/mol
Reported Formula C17H21N2O5P
SMILES C1=N[C@@]([C@@]2(C(N(C([C@]12[H])=O)C)=O)[H])(c1ccccc1)P(OCC)(=O)OCC
SPLASH splash10-002f-0931000000-6cd1c8301a725811966a
Source of Spectrum AF-63-3621-9a
Wiley ID 1876784