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(2S,3S)-3-(Benzyloxy)-1,2,4-butanetriol, 3tms

View entire compound with spectra: 1 NMR

(2S,3S)-3-(Benzyloxy)-1,2,4-butanetriol, 3tms
SpectraBase Compound ID 2km3Z3DLTBm
InChI InChI=1S/C20H40O4Si3/c1-25(2,3)22-16-19(21-15-18-13-11-10-12-14-18)20(24-27(7,8)9)17-23-26(4,5)6/h10-14,19-20H,15-17H2,1-9H3/t19-,20-/m0/s1
InChIKey KFXCCDLTWJNIKQ-PMACEKPBSA-N
Mol Weight 428.8 g/mol
Molecular Formula C20H40O4Si3
Exact Mass 428.223439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60oDargKVw0
Name (2S,3S)-3-(Benzyloxy)-1,2,4-butanetriol, 3tms
Comments Computed using HOSE algorithm
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Exact Mass 428.223439369 u
Formula C20H40O4Si3
InChI InChI=1S/C20H40O4Si3/c1-25(2,3)22-16-19(21-15-18-13-11-10-12-14-18)20(24-27(7,8)9)17-23-26(4,5)6/h10-14,19-20H,15-17H2,1-9H3/t19-,20-/m0/s1
InChIKey KFXCCDLTWJNIKQ-PMACEKPBSA-N
Molecular Weight 428.791 g/mol
SMILES C1(=CC=CC=C1)CO[C@@](CO[Si](C)(C)C)([C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[H])[H]