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1,4-Ethanoisoquinolin-3(2H)-one, 1,4-dihydro-6,7-dihydroxy-2-(2-phenylethyl)-
SpectraBase Compound ID DswQ8TT6DZA
InChI InChI=1S/C19H19NO3/c21-17-10-14-13-6-7-16(15(14)11-18(17)22)20(19(13)23)9-8-12-4-2-1-3-5-12/h1-5,10-11,13,16,21-22H,6-9H2
InChIKey DXHRYVUBDJRWSV-UHFFFAOYSA-N
Mol Weight 309.36 g/mol
Molecular Formula C19H19NO3
Exact Mass 309.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zF1WIfS1Go
Name 1,4-Ethanoisoquinolin-3(2H)-one, 1,4-dihydro-6,7-dihydroxy-2-(2-phenylethyl)-
Alternate Name(s) 1,4-Ethano-2-(2-phenylethyl)-3-oxo-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline 4,5-Dihydroxy-9-(2-phenylethyl)-9-azatricyclo[6.2.2.0(2,7)]dodeca-2,4,6-trien-10-one
CAS Registry Number 102249-81-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO3
InChI InChI=1S/C19H19NO3/c21-17-10-14-13-6-7-16(15(14)11-18(17)22)20(19(13)23)9-8-12-4-2-1-3-5-12/h1-5,10-11,13,16,21-22H,6-9H2
InChIKey DXHRYVUBDJRWSV-UHFFFAOYSA-N
Molecular Weight 309.365 g/mol
SMILES Oc1cc2C3C(N(C(c2cc1O)CC3)CCc1ccccc1)=O
SPLASH splash10-03di-9710000000-7e052f72c53ee383d39e
Source of Spectrum Y-22-1059-6
Wiley ID 1310774