(-)-(5R,12S)-N-methyl-2,3,8,9-tetramethoxyisopavinane [(-)-o-methylthalisopavine]

SpectraBase Compound ID	KxvynYAGcJ0
InChI	InChI=1S/C21H25NO4/c1-22-11-15-13-6-7-17(23-2)21(26-5)20(13)16(22)8-12-9-18(24-3)19(25-4)10-14(12)15/h6-7,9-10,15-16H,8,11H2,1-5H3/t15-,16-/m0/s1
InChIKey	VFZQUEUJVWDAME-HOTGVXAUSA-N Google Search
Mol Weight	355.43 g/mol
Molecular Formula	C21H25NO4
Exact Mass	355.178358 g/mol

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SpectraBase Spectrum ID	DXHIgI0kBYn
Name	(-)-(5R,12S)-N-methyl-2,3,8,9-tetramethoxyisopavinane [(-)-o-methylthalisopavine]
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	355.178358285 u
Formula	C21H25NO4
InChI	InChI=1S/C21H25NO4/c1-22-11-15-13-6-7-17(23-2)21(26-5)20(13)16(22)8-12-9-18(24-3)19(25-4)10-14(12)15/h6-7,9-10,15-16H,8,11H2,1-5H3/t15-,16-/m0/s1
InChIKey	VFZQUEUJVWDAME-HOTGVXAUSA-N
Molecular Weight	355.434 g/mol
SMILES	C=12[C@]3(N(C)C[C@@](C2=CC=C(C1OC)OC)(C=1C=C(OC)C(=CC1C3)OC)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.900708