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METHYL-9-CHLORO-1-HYDROXY-8-METHOXY-3-METHYL-11-OXO-1H-DIBENZO-[B,E]-[1,4]-DIOXEPINE-6-CARBOXYLATE;MALDOXONE
SpectraBase Compound ID 3Rte1NTMpkt
InChI InChI=1S/C17H13ClO7/c1-7-4-9(19)12-10(5-7)24-14-8(16(20)23-3)6-11(22-2)13(18)15(14)25-17(12)21/h4-6,19H,1-3H3
InChIKey YNORUCGPRNZICK-UHFFFAOYSA-N
Mol Weight 364.74 g/mol
Molecular Formula C17H13ClO7
Exact Mass 364.03498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 58NBtfwcyRk
Name METHYL-9-CHLORO-1-HYDROXY-8-METHOXY-3-METHYL-11-OXO-1H-DIBENZO-[B,E]-[1,4]-DIOXEPINE-6-CARBOXYLATE;MALDOXONE
Compound Number 4
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H13ClO7/c1-7-4-9(19)12-10(5-7)24-14-8(16(20)23-3)6-11(22-2)13(18)15(14)25-17(12)21/h4-6,19H,1-3H3
InChIKey YNORUCGPRNZICK-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