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1,3-Butylene(1,2;3,4-di-o-isopropylidene-alpha-D-galactopyranoso-6)thionophosphate

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1,3-Butylene(1,2;3,4-di-o-isopropylidene-alpha-D-galactopyranoso-6)thionophosphate
SpectraBase Compound ID IVrI9d2dWQe
InChI InChI=1S/C16H27O8PS/c1-9-6-7-17-25(26,24-9)18-8-10-11-12(21-15(2,3)20-11)13-14(19-10)23-16(4,5)22-13/h9-14H,6-8H2,1-5H3/t9?,10-,11+,12+,13-,14-,25?/m1/s1
InChIKey HJFZNPITZKDBLZ-VMFGUVOJSA-N
Mol Weight 410.42 g/mol
Molecular Formula C16H27O8PS
Exact Mass 410.116426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBLSGRUUd9m
Name 1,3-Butylene(1,2;3,4-di-o-isopropylidene-alpha-D-galactopyranoso-6)thionophosphate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.116425993 u
Formula C16H27O8PS
InChI InChI=1S/C16H27O8PS/c1-9-6-7-17-25(26,24-9)18-8-10-11-12(21-15(2,3)20-11)13-14(19-10)23-16(4,5)22-13/h9-14H,6-8H2,1-5H3/t9?,10-,11+,12+,13-,14-,25?/m1/s1
InChIKey HJFZNPITZKDBLZ-VMFGUVOJSA-N
Molecular Weight 410.418 g/mol
SMILES [C@@]12([C@@]3([C@]([C@](O[C@@]2(OC(O1)(C)C)[H])(COP1(OCCC(O1)C)=S)[H])(OC(O3)(C)C)[H])[H])[H]