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Ammonium citrate

View entire compound with spectra: 1 NMR, 4 FTIR, 1 Raman, and 2 MS (GC)

Ammonium citrate
SpectraBase Compound ID CMC48umeIb3
InChI InChI=1S/C6H8O7.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3
InChIKey YXVFQADLFFNVDS-UHFFFAOYSA-N
Mol Weight 218.121 g/mol
Molecular Formula C6H6N2O7
Exact Mass 218.017501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AM9ioWLDniU
Name Ammonium citrate dibasic
CAS Registry Number 3012-65-5
Classification Tricarboxylic acids and derivatives
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 226.080100792 u
Formula C6H14N2O7
InChI InChI=1S/C6H8O7.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3
InChIKey YXVFQADLFFNVDS-UHFFFAOYSA-N
Molecular Weight 226.185 g/mol
Number of Peaks 138
SMILES OC(CC(=O)O)(C(ON)=O)CC(ON)=O
SPLASH splash10-002f-9300000000-c80df4cd6d7d8ffa4b7a
Source of Spectrum NP-5-6397-0
Synonyms 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, diammonium salt Ammonium citrate diammonium;3-carboxy-3-hydroxypentanedioate diazanium;3-carboxy-3-hydroxypentanedioate diammonium;3-carboxy-3-hydroxy-pentanedioate diazanium;3-carboxy-3-oxidanyl-pentanedioate
Wiley ID 1105022