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4-Isoquinolineacetic acid, .alpha.-(1,3-benzodioxol-5-ylmethylene)-1,2-dihydro-3-methoxy-2-methy l-1-oxo-, ethyl ester, (E)-
SpectraBase Compound ID 5Jj4E74KQIc
InChI InChI=1S/C23H21NO6/c1-4-28-23(26)17(11-14-9-10-18-19(12-14)30-13-29-18)20-15-7-5-6-8-16(15)21(25)24(2)22(20)27-3/h5-12H,4,13H2,1-3H3/b17-11+
InChIKey XYSJPYWFDWBLRC-GZTJUZNOSA-N
Mol Weight 407.42 g/mol
Molecular Formula C23H21NO6
Exact Mass 407.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hCGMKhQgfI
Name 4-Isoquinolineacetic acid, .alpha.-(1,3-benzodioxol-5-ylmethylene)-1,2-dihydro-3-methoxy-2-methy l-1-oxo-, ethyl ester, (E)-
Alternate Name(s) E-ethyl .alpha.-piperonylidene-1,2-dihydro-3-methoxy-2-methyl-1-oxo-4-isoquinolineacetate Ethyl (2E)-3-(1,3-benzodioxol-5-yl)-2-(3-methoxy-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinyl)-2-propenoate
CAS Registry Number 82083-52-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21NO6
InChI InChI=1S/C23H21NO6/c1-4-28-23(26)17(11-14-9-10-18-19(12-14)30-13-29-18)20-15-7-5-6-8-16(15)21(25)24(2)22(20)27-3/h5-12H,4,13H2,1-3H3/b17-11+
InChIKey XYSJPYWFDWBLRC-GZTJUZNOSA-N
Molecular Weight 407.422 g/mol
SMILES C1(=C(\C(=C/c2cc3OCOc3cc2)C(=O)OCC)c2ccccc2C(N1C)=O)OC
SPLASH splash10-0a4i-0022900000-3ac6f7835d1a4bbda155
Source of Spectrum F-37-4325-0
Wiley ID 1372574