SpectraBase Compound ID | FOX4vtTzGcJ |
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InChI | InChI=1S/C6H8O7.C5H14NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3/q;+1/p-1 |
InChIKey | WRPUOFKIGGWQIJ-UHFFFAOYSA-M |
Mol Weight | 295.29 g/mol |
Molecular Formula | C11H21NO8 |
Exact Mass | 295.126717 g/mol |
SpectraBase Spectrum ID | CQh3On8IoYl |
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Name | choline dihydrogen citrate |
Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C11H21NO8 |
InChI | InChI=1S/C6H8O7.C5H14NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3/q;+1/p-1 |
InChIKey | WRPUOFKIGGWQIJ-UHFFFAOYSA-M |
Instrument Name | Varian A-60 |
Polar Surface Area Predicted | 143.4 |
Sadtler NMR Number | 23106M |
Solvent | D2O |