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Trans-rubemamine, N-methyl

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Trans-rubemamine, N-methyl
SpectraBase Compound ID K8aZqp2waeP
InChI InChI=1S/C22H27NO5/c1-23(13-12-17-7-10-19(26-3)21(15-17)28-5)22(24)11-8-16-6-9-18(25-2)20(14-16)27-4/h6-11,14-15H,12-13H2,1-5H3/b11-8+
InChIKey DRJAASQJXDFHGW-DHZHZOJOSA-N
Mol Weight 385.46 g/mol
Molecular Formula C22H27NO5
Exact Mass 385.188923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L3cG2NUiqL1
Name Trans-rubemamine, N-methyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.188922968 u
Formula C22H27NO5
InChI InChI=1S/C22H27NO5/c1-23(13-12-17-7-10-19(26-3)21(15-17)28-5)22(24)11-8-16-6-9-18(25-2)20(14-16)27-4/h6-11,14-15H,12-13H2,1-5H3/b11-8+
InChIKey DRJAASQJXDFHGW-DHZHZOJOSA-N
Molecular Weight 385.460 g/mol
SMILES C(\C=C\C1=CC(=C(C=C1)OC)OC)(=O)N(CCC1=CC(=C(C=C1)OC)OC)C