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[18O]-trimethyl 2-hydroxy-1,2,3-propanetricarboxylate
SpectraBase Compound ID D3NjJs7P9ju
InChI InChI=1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3/i16+2
InChIKey HDDLVZWGOPWKFW-VPMSBSONSA-N
Mol Weight 236.2 g/mol
Molecular Formula C9H14O618O
Exact Mass 236.078198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QfOoW4dNi2
Name [18O]-trimethyl 2-hydroxy-1,2,3-propanetricarboxylate
Alternate Name(s) Trimethyl 2-hydroxy-1,2,3-propanetricarboxylate, 18O isotopic labeled
Comments Original formula: C9H14O6[18O]
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Formula C9H14O7
InChI InChI=1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3/i16+2
InChIKey HDDLVZWGOPWKFW-VPMSBSONSA-N
Molecular Weight 236.204 g/mol
SMILES OC(CC(OC)=O)(CC(=O)OC)C(=O)[18O]C
SPLASH splash10-0f6x-2900000000-374921e1efb01da45f54
Wiley ID 1482673