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UDZOFHNBZYBIFN-KMFMINBZSA-N

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

UDZOFHNBZYBIFN-KMFMINBZSA-N
SpectraBase Compound ID cWQZGZ2FoQ
InChI InChI=1S/C20H23NO4/c1-23-20(22)14-4-2-3-13-10-21-6-5-12-7-18-19(25-11-24-18)9-16(12)17(21)8-15(13)14/h4,7,9,13,15,17H,2-3,5-6,8,10-11H2,1H3/t13-,15+,17+/m1/s1
InChIKey UDZOFHNBZYBIFN-KMFMINBZSA-N
Mol Weight 341.41 g/mol
Molecular Formula C20H23NO4
Exact Mass 341.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jgel6gqrFL1
Name (8aS,12aS,13aS)-5,8,8a,9,10,12a,13,13a-Octahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-12-carboxylic acid methyl ester
Alternate Name(s) Methyl .delta.(13,14)berbane-13-carboxylate Methyl 5,8,8a,9,10,12a,13,13a-octahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-12-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO4
InChI InChI=1S/C20H23NO4/c1-23-20(22)14-4-2-3-13-10-21-6-5-12-7-18-19(25-11-24-18)9-16(12)17(21)8-15(13)14/h4,7,9,13,15,17H,2-3,5-6,8,10-11H2,1H3/t13-,15+,17+/m1/s1
InChIKey UDZOFHNBZYBIFN-KMFMINBZSA-N
Molecular Weight 341.407 g/mol
SMILES [C@@]12(N(CCc3cc4OCOc4cc23)C[C@]2(CCC=C([C@]2(C1)[H])C(=O)OC)[H])[H]
SPLASH splash10-002f-0319000000-f2751371143aeda2d63c
Source of Spectrum H1-39-455-2
Wiley ID 756771