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.beta.-D-Glucopyranoside, 3-(4-methoxyphenyl)-2-propenyl
SpectraBase Compound ID CiVHEajl6Ee
InChI InChI=1S/C16H22O7/c1-21-11-6-4-10(5-7-11)3-2-8-22-16-15(20)14(19)13(18)12(9-17)23-16/h2-7,12-20H,8-9H2,1H3/b3-2-/t12-,13-,14+,15-,16-/m1/s1
InChIKey XRQSXJGKRJVWSU-JNDSXIQISA-N
Mol Weight 326.34 g/mol
Molecular Formula C16H22O7
Exact Mass 326.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLCNcVE9mD2
Name .beta.-D-Glucopyranoside, 3-(4-methoxyphenyl)-2-propenyl
Comments Computed using HOSE algorithm
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Exact Mass 326.136553041 u
Formula C16H22O7
InChI InChI=1S/C16H22O7/c1-21-11-6-4-10(5-7-11)3-2-8-22-16-15(20)14(19)13(18)12(9-17)23-16/h2-7,12-20H,8-9H2,1H3/b3-2-/t12-,13-,14+,15-,16-/m1/s1
InChIKey XRQSXJGKRJVWSU-JNDSXIQISA-N
Molecular Weight 326.345 g/mol
SMILES [C@@]1([C@]([C@](O)([C@](O[C@]1(OC\C=C/C=1C=CC(=CC1)OC)[H])(CO)[H])[H])(O)[H])(O)[H]