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1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-5,5,8-trimethyl-nona-3,7-dien-2-one
SpectraBase Compound ID 5ddZdGNXMNS
InChI InChI=1S/C24H33NO4/c1-16(2)7-10-24(3,4)11-8-18(26)14-19-21-17(9-12-25(19)5)13-20-22(23(21)27-6)29-15-28-20/h7-8,11,13,19H,9-10,12,14-15H2,1-6H3/b11-8+
InChIKey ONOPZUMQDQIUCO-DHZHZOJOSA-N
Mol Weight 399.5 g/mol
Molecular Formula C24H33NO4
Exact Mass 399.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1epOSAd05D
Name 1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-G]isoquinolin-5-yl)-5,5,8-trimethyl-nona-3,7-dien-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.240958543 u
Formula C24H33NO4
InChI InChI=1S/C24H33NO4/c1-16(2)7-10-24(3,4)11-8-18(26)14-19-21-17(9-12-25(19)5)13-20-22(23(21)27-6)29-15-28-20/h7-8,11,13,19H,9-10,12,14-15H2,1-6H3/b11-8+
InChIKey ONOPZUMQDQIUCO-DHZHZOJOSA-N
Molecular Weight 399.531 g/mol
SMILES C=12C(N(CCC2=CC2=C(C1OC)OCO2)C)CC(\C=C\C(C)(C)CC=C(C)C)=O