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(3R,4S)-2,3-Dimethoxy-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one
SpectraBase Compound ID 8M58BndxjR4
InChI InChI=1S/C17H17NO3/c1-20-17-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(19)18(17)21-2/h3-11,15,17H,1-2H3
InChIKey BIMYLXISGXJRNQ-UHFFFAOYSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4GYEBllR8G
Name (3R,4S)-2,3-Dimethoxy-4-phenyl-3,4-dihydroisoquinolin-1(2H)-one
Appearance Colorless oil
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Exact Mass 283.120843408 u
Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c1-20-17-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(19)18(17)21-2/h3-11,15,17H,1-2H3
InChIKey BIMYLXISGXJRNQ-UHFFFAOYSA-N
Instrument Name Finnigan SSQ Finnigan 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710776
Quality 15
Reported Formula C17H17NO3
SMILES COC1N(C(C2=C(C1C1=CC=CC=C1)C=CC=C2)=O)OC
SPLASH splash10-00kf-0910000000-55ce9260bd41d27fb1e3
Sample Comments dr = 8:1
Source of Spectrum ACI-56-SM39-4aj' (DOI: 10.1002/anie.201710776)
Thin-Layer Chromatography 0.2 (DCM/Et2O, 6:1)
Wiley ID 1896670