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2-Hydroxy-4-(4-hydroxyphenyl)butanoic acid, 3tms
SpectraBase Compound ID HdcSnqeTknr
InChI InChI=1S/C19H36O4Si3/c1-24(2,3)21-17-13-10-16(11-14-17)12-15-18(22-25(4,5)6)19(20)23-26(7,8)9/h10-11,13-14,18H,12,15H2,1-9H3
InChIKey QVUBJLLNZQGTDU-UHFFFAOYSA-N
Mol Weight 412.7 g/mol
Molecular Formula C19H36O4Si3
Exact Mass 412.192139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zKBtWCpyvQ
Name 2-Hydroxy-4-(4-hydroxyphenyl)butanoic acid, 3tms
Comments Computed using HOSE algorithm
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Exact Mass 412.192139240 u
Formula C19H36O4Si3
InChI InChI=1S/C19H36O4Si3/c1-24(2,3)21-17-13-10-16(11-14-17)12-15-18(22-25(4,5)6)19(20)23-26(7,8)9/h10-11,13-14,18H,12,15H2,1-9H3
InChIKey QVUBJLLNZQGTDU-UHFFFAOYSA-N
Molecular Weight 412.748 g/mol
SMILES C(C(CCC1=CC=C(C=C1)O[Si](C)(C)C)O[Si](C)(C)C)(=O)O[Si](C)(C)C