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RES-1214-2
SpectraBase Compound ID LuRTWUFnS5W
InChI InChI=1S/C17H15ClO8/c1-7-4-9(19)12(16(21)22)10(5-7)26-15-8(17(23)25-3)6-11(24-2)13(18)14(15)20/h4-6,19-20H,1-3H3,(H,21,22)
InChIKey CAXGJVQIPWBEJY-UHFFFAOYSA-N
Mol Weight 382.75 g/mol
Molecular Formula C17H15ClO8
Exact Mass 382.045545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EMpZIpioBwG
Name 2-(3'-CHLORO-2'-HYDROXY-4'-METHOXY-6'-METHOXYCARBONYL-PHENOXY)-6-HYDROXY-4-METHYL-BENZOIC-ACID;DIHYDRO-MALDOXIN
Compound Number 1
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H15ClO8/c1-7-4-9(19)12(16(21)22)10(5-7)26-15-8(17(23)25-3)6-11(24-2)13(18)14(15)20/h4-6,19-20H,1-3H3,(H,21,22)
InChIKey CAXGJVQIPWBEJY-UHFFFAOYSA-N
Literature Reference M.O.ADEBOYA,R.L.EDWARDS,T.LASSOE,D.J.MAITLAND,L.SHIELDS,A.J.S.WHALLEY J.CHEM.SOC.PERKIN-1,1419(1996)
Solvent Pyridine-d5
Technique APT, DEPT, INEPT; C/H SHIFT CORRELATION