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(2S,3R)-2,3-Bis(3,4-dimethoxybenzyl)butanedioic anhydride
SpectraBase Compound ID KuPy6nVHgZm
InChI InChI=1S/C22H24O7/c1-25-17-7-5-13(11-19(17)27-3)9-15-16(22(24)29-21(15)23)10-14-6-8-18(26-2)20(12-14)28-4/h5-8,11-12,15-16H,9-10H2,1-4H3/t15-,16+
InChIKey UDDGTTSQJNENKE-IYBDPMFKSA-N
Mol Weight 400.43 g/mol
Molecular Formula C22H24O7
Exact Mass 400.152203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gCDZcHjnF0
Name (2S,3R)-2,3-bis(3,4-Dimethoxybenzyl)butanedioic anhydride
Comments Computed using HOSE algorithm
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Exact Mass 400.152203106 u
Formula C22H24O7
InChI InChI=1S/C22H24O7/c1-25-17-7-5-13(11-19(17)27-3)9-15-16(22(24)29-21(15)23)10-14-6-8-18(26-2)20(12-14)28-4/h5-8,11-12,15-16H,9-10H2,1-4H3/t15-,16+
InChIKey UDDGTTSQJNENKE-IYBDPMFKSA-N
Molecular Weight 400.427 g/mol
SMILES C1(OC([C@]([C@]1(CC=1C=C(OC)C(=CC1)OC)[H])(CC=1C=C(OC)C(=CC1)OC)[H])=O)=O