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1,3,5-Pentanetricarboxylic acid

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1,3,5-Pentanetricarboxylic acid
SpectraBase Compound ID LYIE5AulKOK
InChI InChI=1S/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14)
InChIKey ROTJZTYLACIJIG-UHFFFAOYSA-N
Mol Weight 204.18 g/mol
Molecular Formula C8H12O6
Exact Mass 204.063388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FETJxHZeyZU
Name 1,3,5-PENTANETRICARBOXYLIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O6
InChI InChI=1S/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14)
InChIKey ROTJZTYLACIJIG-UHFFFAOYSA-N
Melting Point 107C
Molecular Weight 204.18
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms HEPTANEDIOIC ACID, 4-CARBOXY-, PENTANETRICARBOXYLIC ACID, 1,3,5-,