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6-[[(4-NITROBENZYL)-(4-NITROPHENOXY)-PHOSPHORYL]-OXY]-HEXANOIC-ACID
SpectraBase Compound ID 1sUiozEFr8e
InChI InChI=1S/C19H21N2O9P/c22-19(23)4-2-1-3-13-29-31(28,14-15-5-7-16(8-6-15)20(24)25)30-18-11-9-17(10-12-18)21(26)27/h5-12H,1-4,13-14H2,(H,22,23)
InChIKey XWFOGHTVRZIGLF-UHFFFAOYSA-N
Mol Weight 452.36 g/mol
Molecular Formula C19H21N2O9P
Exact Mass 452.098467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoK35aCTnHZ
Name 6-{[((4'-Nitrobenzyl)(4''-nitrophenoxy)phosphoryl]oxy}hexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21N2O9P
InChI InChI=1S/C19H21N2O9P/c22-19(23)4-2-1-3-13-29-31(28,14-15-5-7-16(8-6-15)20(24)25)30-18-11-9-17(10-12-18)21(26)27/h5-12H,1-4,13-14H2,(H,22,23)
InChIKey XWFOGHTVRZIGLF-UHFFFAOYSA-N
Molecular Weight 452.356 g/mol
SMILES OC(CCCCCOP(Oc1ccc(N(=O)=O)cc1)(=O)Cc1ccc(N(=O)=O)cc1)=O
SPLASH splash10-00kr-9606000000-e5764321425c1fb9d888
Source of Spectrum I-78-654-9
Wiley ID 812600