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XSFLERFIDXIRIP-UHFFFAOYSA-N

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XSFLERFIDXIRIP-UHFFFAOYSA-N
SpectraBase Compound ID KpfyOoegLxD
InChI InChI=1S/C36H54O6/c1-33(2,3)23-35(7,8)26-12-14-28-30(19-26)41-21-25(18-32(37)38)22-42-31-20-27(36(9,10)24-34(4,5)6)13-15-29(31)40-17-11-16-39-28/h12-15,19-20,25H,11,16-18,21-24H2,1-10H3,(H,37,38)
InChIKey XSFLERFIDXIRIP-UHFFFAOYSA-N
Mol Weight 582.8 g/mol
Molecular Formula C36H54O6
Exact Mass 582.392039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjG8JtnK9dI
Name DIBENZO-14-CROWN-4-ETHER-DERIVATIVE
Compound Number 5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C36H54O6/c1-33(2,3)23-35(7,8)26-12-14-28-30(19-26)41-21-25(18-32(37)38)22-42-31-20-27(36(9,10)24-34(4,5)6)13-15-29(31)40-17-11-16-39-28/h12-15,19-20,25H,11,16-18,21-24H2,1-10H3,(H,37,38)
InChIKey XSFLERFIDXIRIP-UHFFFAOYSA-N
Literature Reference Z.CHEN,P.J.MOEHS,R.A.SACHLEBEN J.CHEM.SOC.PERKIN-2,2549(1996)
Solvent Dimethyl sulfoxide-d6
Technique APT, DEPT, INEPT; C/H SHIFT CORRELATION