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Methyl Ester of 2,3-(R,S)-11b-(S)-(3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-2-yl)acetic acid
SpectraBase Compound ID 79perCPyf3a
InChI InChI=1S/C20H29NO4/c1-5-13-12-21-7-6-14-9-18(23-2)19(24-3)11-16(14)17(21)8-15(13)10-20(22)25-4/h9,11,13,15,17H,5-8,10,12H2,1-4H3/t13-,15-,17+/m1/s1
InChIKey LFMZXVKJKHUTDG-UNEWFSDZSA-N
Mol Weight 347.46 g/mol
Molecular Formula C20H29NO4
Exact Mass 347.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EA32ldjZWye
Name Methyl Ester of 2,3-(R,S)-11b-(S)-(3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-2-yl)acetic acid
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Formula C20H29NO4
InChI InChI=1S/C20H29NO4/c1-5-13-12-21-7-6-14-9-18(23-2)19(24-3)11-16(14)17(21)8-15(13)10-20(22)25-4/h9,11,13,15,17H,5-8,10,12H2,1-4H3/t13-,15-,17+/m1/s1
InChIKey LFMZXVKJKHUTDG-UNEWFSDZSA-N
Molecular Weight 347.455 g/mol
SMILES [C@@]12(N(CCc3cc(c(cc23)OC)OC)C[C@]([C@](C1)(CC(=O)OC)[H])(CC)[H])[H]
SPLASH splash10-052e-0490000000-90c868f9a6af87ce02b0
Source of Spectrum QF-10-2728-22
Wiley ID 1559473