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2,4,6-Tri(2-carboxyethyl)-1,3,5-trioxane
SpectraBase Compound ID BpJTb924O3y
InChI InChI=1S/C12H18O9/c13-7(14)1-4-10-19-11(5-2-8(15)16)21-12(20-10)6-3-9(17)18/h10-12H,1-6H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey VFXVQGGQHYNKFB-UHFFFAOYSA-N
Mol Weight 306.27 g/mol
Molecular Formula C12H18O9
Exact Mass 306.095082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7AsI5CeRm5Y
Name 2,4,6-Tri(2-carboxyethyl)-1,3,5-trioxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O9
InChI InChI=1S/C12H18O9/c13-7(14)1-4-10-19-11(5-2-8(15)16)21-12(20-10)6-3-9(17)18/h10-12H,1-6H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey VFXVQGGQHYNKFB-UHFFFAOYSA-N
Molecular Weight 306.267 g/mol
SMILES OC(CCC1OC(CCC(=O)O)OC(O1)CCC(=O)O)=O
SPLASH splash10-0k9i-9451000000-55ca4d13b7013fce6dcd
Source of Spectrum KC-57-6186-15
Synonyms 3-[4,6-bis(2-carboxyethyl)-1,3,5-trioxan-2-yl]propanoic acid
Wiley ID 1625127