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Diglycolic acid, decyl dodecyl ester
SpectraBase Compound ID 4Um6cE8J047
InChI InChI=1S/C26H50O5/c1-3-5-7-9-11-13-14-16-18-20-22-31-26(28)24-29-23-25(27)30-21-19-17-15-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey YURBRXTWCUZQCM-UHFFFAOYSA-N
Mol Weight 442.7 g/mol
Molecular Formula C26H50O5
Exact Mass 442.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSNT88bsLnv
Name Diglycolic acid, decyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 442.365824705 u
Formula C26H50O5
InChI InChI=1S/C26H50O5/c1-3-5-7-9-11-13-14-16-18-20-22-31-26(28)24-29-23-25(27)30-21-19-17-15-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey YURBRXTWCUZQCM-UHFFFAOYSA-N
Molecular Weight 442.681 g/mol
SMILES C(COCC(=O)OCCCCCCCCCC)(=O)OCCCCCCCCCCCC