John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=16cQT612UWO SpectraBase Spectrum ID=LTOiM3YsJvL

(accessed ).
[5-METHOXY-2-[N-METHYL-(6-METHYL-7-VINYL-1,4-DIOXASPIRO-[4,4]-NONAN-6-YL-METHYLCARBONYL]-PHENYL]-ACETIC-ACID-METHYLESTER
SpectraBase Compound ID 16cQT612UWO
InChI InChI=1S/2C23H31NO6/c2*1-6-17-9-10-23(29-11-12-30-23)22(17,2)15-24(3)21(26)19-8-7-18(27-4)13-16(19)14-20(25)28-5/h2*6-8,13,17H,1,9-12,14-15H2,2-5H3/t2*17-,22+/m00/s1
InChIKey QQKBKUPWBIASAM-UHDULWDZSA-N
Mol Weight 835.0 g/mol
Molecular Formula C46H62N2O12
Exact Mass 834.430276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTOiM3YsJvL
Name [5-METHOXY-2-[N-METHYL-(6-METHYL-7-VINYL-1,4-DIOXASPIRO-[4,4]-NONAN-6-YL-METHYLCARBONYL]-PHENYL]-ACETIC-ACID-METHYLESTER
Compound Number 19A
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H62N2O12
InChI InChI=1S/2C23H31NO6/c2*1-6-17-9-10-23(29-11-12-30-23)22(17,2)15-24(3)21(26)19-8-7-18(27-4)13-16(19)14-20(25)28-5/h2*6-8,13,17H,1,9-12,14-15H2,2-5H3/t2*17-,22+/m00/s1
InChIKey QQKBKUPWBIASAM-UHDULWDZSA-N
Literature Reference Author O.PETERS,T.DEBAERDEMAEKER,W.FRIEDRICHSEN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,59(1999)
Literature Reference DOI 10.1039/a806916f
Molecular Weight 835.004 g/mol
Solvent CDCl3
SpectraBase Batch ID 7LpIUb0JP7i