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N-Methylpavine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-Methylpavine
SpectraBase Compound ID Enc5QDkgVDf
InChI InChI=1S/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3/t16-,17-/m0/s1
InChIKey QEOWCPFWLCIQSL-IRXDYDNUSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7PscU9r39mO
Name (+-)-o-methylthalisopavine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.178358285 u
Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3/t16-,17-/m0/s1
InChIKey QEOWCPFWLCIQSL-IRXDYDNUSA-N
Molecular Weight 355.434 g/mol
SMILES [C@@]12(N([C@@](CC3=CC(=C(C=C23)OC)OC)(C2=C(C=C(C(=C2)OC)OC)C1)[H])C)[H]