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1,7-bis(3,4-Dihydroxyphenyl)heptan-3-yl acetate

View entire compound with spectra: 1 NMR

1,7-bis(3,4-Dihydroxyphenyl)heptan-3-yl acetate
SpectraBase Compound ID 4ZFJ7yiKPjT
InChI InChI=1S/C21H26O6/c1-14(22)27-17(9-6-16-8-11-19(24)21(26)13-16)5-3-2-4-15-7-10-18(23)20(25)12-15/h7-8,10-13,17,23-26H,2-6,9H2,1H3
InChIKey UWNADLMLMRTPFL-UHFFFAOYSA-N
Mol Weight 374.43 g/mol
Molecular Formula C21H26O6
Exact Mass 374.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hg64Aan7ZXp
Name 1,7-bis(3,4-Dihydroxyphenyl)heptan-3-yl acetate
Comments Computed using HOSE algorithm
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Exact Mass 374.172938551 u
Formula C21H26O6
InChI InChI=1S/C21H26O6/c1-14(22)27-17(9-6-16-8-11-19(24)21(26)13-16)5-3-2-4-15-7-10-18(23)20(25)12-15/h7-8,10-13,17,23-26H,2-6,9H2,1H3
InChIKey UWNADLMLMRTPFL-UHFFFAOYSA-N
Molecular Weight 374.433 g/mol
SMILES C1(=C(C=CC(=C1)CCCCC(CCC1=CC=C(C(=C1)O)O)OC(=O)C)O)O