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6-[[(trans)-2,5-bis(4'-nitrophenyl)-1-.oxo-1-lambda.(5)-phospholan-1-yl]oxy]hexanoic acid
SpectraBase Compound ID BJ24UHebSQh
InChI InChI=1S/C22H25N2O8P/c25-22(26)4-2-1-3-15-32-33(31)20(16-5-9-18(10-6-16)23(27)28)13-14-21(33)17-7-11-19(12-8-17)24(29)30/h5-12,20-21H,1-4,13-15H2,(H,25,26)/t20-,21-/m0/s1
InChIKey VBQZGMRLODUFJD-SFTDATJTSA-N
Mol Weight 476.42 g/mol
Molecular Formula C22H25N2O8P
Exact Mass 476.134853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KW5alwG5OxX
Name 6-[[(trans)-2,5-bis(4'-nitrophenyl)-1-.oxo-1-lambda.(5)-phospholan-1-yl]oxy]hexanoic acid
Alternate Name(s) 6-{[(2S,5S)-2,5-bis(4-nitrophenyl)-1-oxidophospholanyl]oxy}hexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N2O8P
InChI InChI=1S/C22H25N2O8P/c25-22(26)4-2-1-3-15-32-33(31)20(16-5-9-18(10-6-16)23(27)28)13-14-21(33)17-7-11-19(12-8-17)24(29)30/h5-12,20-21H,1-4,13-15H2,(H,25,26)/t20-,21-/m0/s1
InChIKey VBQZGMRLODUFJD-SFTDATJTSA-N
Molecular Weight 476.422 g/mol
SMILES OC(CCCCCOP1([C@@](CC[C@]1(c1ccc(N(=O)=O)cc1)[H])(c1ccc(N(=O)=O)cc1)[H])=O)=O
SPLASH splash10-014i-5795000000-83304e8df3bc3be728a9
Source of Spectrum I-78-653-6
Wiley ID 812608