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Isoliquiritin, hexamethyl ether

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Isoliquiritin, hexamethyl ether
SpectraBase Compound ID GmBa8xjohhQ
InChI InChI=1S/C27H34O9/c1-29-16-23-24(32-4)25(33-5)26(34-6)27(36-23)35-18-10-7-17(8-11-18)9-14-21(28)20-13-12-19(30-2)15-22(20)31-3/h7-15,23-27H,16H2,1-6H3/b14-9+/t23-,24-,25+,26-,27-/m1/s1
InChIKey JLDADBMGEGOTRN-DDVLTEBESA-N
Mol Weight 502.6 g/mol
Molecular Formula C27H34O9
Exact Mass 502.220283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hl69RFyE45F
Name Isoliquiritin, hexamethyl ether
Comments Computed using HOSE algorithm
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Exact Mass 502.220282666 u
Formula C27H34O9
InChI InChI=1S/C27H34O9/c1-29-16-23-24(32-4)25(33-5)26(34-6)27(36-23)35-18-10-7-17(8-11-18)9-14-21(28)20-13-12-19(30-2)15-22(20)31-3/h7-15,23-27H,16H2,1-6H3/b14-9+/t23-,24-,25+,26-,27-/m1/s1
InChIKey JLDADBMGEGOTRN-DDVLTEBESA-N
Molecular Weight 502.560 g/mol
SMILES COC=1C(=CC=C(OC)C1)C(=O)\C=C\C1=CC=C(O[C@@]2(O[C@](COC)([C@@](OC)([C@](OC)([C@]2(OC)[H])[H])[H])[H])[H])C=C1