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1-Propanone,2-(6-(1-ethyl-4-(1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl)1,3-butadienyl)tetrahydro-5-methyl-2H-pyran-2-yl)-1-(1H-pyrrol-2-yl)

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1-Propanone,2-(6-(1-ethyl-4-(1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl)1,3-butadienyl)tetrahydro-5-methyl-2H-pyran-2-yl)-1-(1H-pyrrol-2-yl)
SpectraBase Compound ID EELu1NNGs2w
InChI InChI=1S/C35H46N2O3/c1-5-24-15-18-28-27(24)17-16-26(32(28)34(39)30-13-9-21-37-30)11-7-10-25(6-2)35-22(3)14-19-31(40-35)23(4)33(38)29-12-8-20-36-29/h7-13,16-17,20-24,26-28,31-32,35-37H,5-6,14-15,18-19H2,1-4H3/b11-7-,25-10-
InChIKey CLGRIYJIARADJB-NVRPNTDBSA-N
Mol Weight 542.8 g/mol
Molecular Formula C35H46N2O3
Exact Mass 542.350843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9KDBsUppCv
Name 1-Propanone,2-(6-(1-ethyl-4-(1-ethyl-2,3,3A,4,5,7A-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl)1,3-butadienyl)tetrahydro-5-methyl-2H-pyran-2-yl)-1-(1H-pyrrol-2-yl)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.350843346 u
Formula C35H46N2O3
InChI InChI=1S/C35H46N2O3/c1-5-24-15-18-28-27(24)17-16-26(32(28)34(39)30-13-9-21-37-30)11-7-10-25(6-2)35-22(3)14-19-31(40-35)23(4)33(38)29-12-8-20-36-29/h7-13,16-17,20-24,26-28,31-32,35-37H,5-6,14-15,18-19H2,1-4H3/b11-7-,25-10-
InChIKey CLGRIYJIARADJB-NVRPNTDBSA-N
Molecular Weight 542.764 g/mol
SMILES C12C(C(C=3NC=CC3)=O)C(\C=C/C=C\(C3OC(C(C(C=4NC=CC4)=O)C)CCC3C)CC)C=CC2C(CC)CC1