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D-Arabinoitol 1,5-o-di-p-toluate

View entire compound with spectra: 1 NMR

D-Arabinoitol 1,5-o-di-p-toluate
SpectraBase Compound ID 7hO9WBeAX1n
InChI InChI=1S/C21H24O7/c1-13-3-7-15(8-4-13)20(25)27-11-17(22)19(24)18(23)12-28-21(26)16-9-5-14(2)6-10-16/h3-10,17-19,22-24H,11-12H2,1-2H3
InChIKey KVQITPSTZOWLIX-UHFFFAOYSA-N
Mol Weight 388.42 g/mol
Molecular Formula C21H24O7
Exact Mass 388.152203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IENX6i4NoQv
Name D-Arabinoitol 1,5-o-di-p-toluate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.152203106 u
Formula C21H24O7
InChI InChI=1S/C21H24O7/c1-13-3-7-15(8-4-13)20(25)27-11-17(22)19(24)18(23)12-28-21(26)16-9-5-14(2)6-10-16/h3-10,17-19,22-24H,11-12H2,1-2H3
InChIKey KVQITPSTZOWLIX-UHFFFAOYSA-N
Molecular Weight 388.416 g/mol
SMILES C(OCC(C(C(COC(=O)C1=CC=C(C=C1)C)O)O)O)(C1=CC=C(C=C1)C)=O