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phosphoric acid, mono(p-nitrophenyl)ester, compound with 2-amino-2-ethyl-1,3-propanediol(1:2)
SpectraBase Compound ID 1Fy5xA3aGC
InChI InChI=1S/C6H6NO6P.2C5H13NO2/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*1-2-5(6,3-7)4-8/h1-4H,(H2,10,11,12);2*7-8H,2-4,6H2,1H3
InChIKey YVXXRFJXBIWXFT-UHFFFAOYSA-N
Mol Weight 457.42 g/mol
Molecular Formula C16H32N3O10P
Exact Mass 457.182531 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DrK9AAy2evQ
Name PHOSPHORIC ACID, MONO(p-NITROPHENYL) ESTER, COMPOUND WITH 2-AMINO-2-ETHYL-1,3-PROPANEDIOL (1:2)
Source of Sample Eastman Organic Chemicals, Rochester, New York
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6NO6P 2C5H13NO2
InChI InChI=1S/C6H6NO6P.2C5H13NO2/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*1-2-5(6,3-7)4-8/h1-4H,(H2,10,11,12);2*7-8H,2-4,6H2,1H3
InChIKey YVXXRFJXBIWXFT-UHFFFAOYSA-N
Molecular Weight 457.52
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms PHOSPHORIC ACID, MONO/P-NITROPHENYL/ESTER, COMPOUND WITH 2-AMINO- 2-ETHYL-1,3-PROPANEDIOL /1 TO 2/