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2,3,4,6-Tetra-o-(3-methylbutyl)-D-galactonolactone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,3,4,6-Tetra-o-(3-methylbutyl)-D-galactonolactone
SpectraBase Compound ID huZ0A0Rq5a
InChI InChI=1S/C26H50O6/c1-18(2)9-13-28-17-22-23(29-14-10-19(3)4)24(30-15-11-20(5)6)25(26(27)32-22)31-16-12-21(7)8/h18-25H,9-17H2,1-8H3
InChIKey OJKNKGZQSDHFIN-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C26H50O6
Exact Mass 458.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2UjykOOLp7E
Name 2,3,4,6-Tetra-o-(3-methylbutyl)-D-galactonolactone
Comments Computed using HOSE algorithm
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Exact Mass 458.360739324 u
Formula C26H50O6
InChI InChI=1S/C26H50O6/c1-18(2)9-13-28-17-22-23(29-14-10-19(3)4)24(30-15-11-20(5)6)25(26(27)32-22)31-16-12-21(7)8/h18-25H,9-17H2,1-8H3
InChIKey OJKNKGZQSDHFIN-UHFFFAOYSA-N
Molecular Weight 458.680 g/mol
SMILES C1(C(C(OCCC(C)C)C(C(O1)COCCC(C)C)OCCC(C)C)OCCC(C)C)=O