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(2RS,3SR;E)-3-(3,5-Dinitrobenzoyloxy)-2-(5-oxodibenzophosphino-5-yl)oct-4-ene
SpectraBase Compound ID KC7C0LlJxTP
InChI InChI=1S/C27H25N2O7P/c1-3-4-5-12-24(36-27(30)19-15-20(28(31)32)17-21(16-19)29(33)34)18(2)37(35)25-13-8-6-10-22(25)23-11-7-9-14-26(23)37/h5-18,24H,3-4H2,1-2H3/b12-5+/t18-,24+/m0/s1
InChIKey XVXAOZMIJDTCPQ-ARDDCZOYSA-N
Mol Weight 520.48 g/mol
Molecular Formula C27H25N2O7P
Exact Mass 520.139938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nH9UYh1mkN
Name (2RS,3SR;E)-3-(3,5-Dinitrobenzoyloxy)-2-(5-oxodibenzophosphino-5-yl)oct-4-ene
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Formula C27H25N2O7P
InChI InChI=1S/C27H25N2O7P/c1-3-4-5-12-24(36-27(30)19-15-20(28(31)32)17-21(16-19)29(33)34)18(2)37(35)25-13-8-6-10-22(25)23-11-7-9-14-26(23)37/h5-18,24H,3-4H2,1-2H3/b12-5+/t18-,24+/m0/s1
InChIKey XVXAOZMIJDTCPQ-ARDDCZOYSA-N
Molecular Weight 520.478 g/mol
SMILES c12P(c3c(-c2cccc1)cccc3)([C@]([C@](OC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)(\C=C\CCC)[H])(C)[H])=O
SPLASH splash10-0002-0932000000-c7377fe5b46ef0322c34
Source of Spectrum KC-1993-1858-25
Synonyms syn-(2RS,3SR;E)-3-(3,5-Dinitrobenzoyloxy)-2-(5-oxodibenzophosphino-5-yl)oct-4-ene (1R,2E)-1-[(1S)-1-(5-oxido-5H-benzo[b]phosphindol-5-yl)ethyl]-2-hexenyl 3,5-dinitrobenzoate (2RS,3SR;E)-3-(3,5-Dinitrobenzoyloxy)-2-(5-oxodibenzophosphol-5-yl)oct-4-ene anti-(2RS,3SR;E)-3-(3,5-Dinitrobenzoyloxy)-2-(5-oxodibenzophosphol-5-yl)oct-4-ene
Wiley ID 778608