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rac-3-[2'-(beta-N-Ethoxycarbonyl-N-methyl-aminoethyl)-4',5'-dimethoxy-phenyl]-6,7-dimethoxy-isochroman-1-one
SpectraBase Compound ID Ko87AM9Ixo1
InChI InChI=1S/C25H31NO8/c1-7-33-25(28)26(2)9-8-15-10-20(29-3)22(31-5)13-17(15)19-11-16-12-21(30-4)23(32-6)14-18(16)24(27)34-19/h10,12-14,19H,7-9,11H2,1-6H3
InChIKey YIURZBWDPYTWQZ-UHFFFAOYSA-N
Mol Weight 473.52 g/mol
Molecular Formula C25H31NO8
Exact Mass 473.204967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wrzAjLIKnO
Name rac-3-[2'-(beta-N-Ethoxycarbonyl-N-methyl-aminoethyl)-4',5'-dimethoxy-phenyl]-6,7-dimethoxy-isochroman-1-one
Alternate Name(s) Ethyl (2-(6,7-dimethoxy-1-oxoisochroman-3-yl)-4,5-dimethoxyphenethyl)(methyl)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO8
InChI InChI=1S/C25H31NO8/c1-7-33-25(28)26(2)9-8-15-10-20(29-3)22(31-5)13-17(15)19-11-16-12-21(30-4)23(32-6)14-18(16)24(27)34-19/h10,12-14,19H,7-9,11H2,1-6H3
InChIKey YIURZBWDPYTWQZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19823150312
Molecular Weight 473.522 g/mol
SMILES C1(OC(Cc2cc(c(cc12)OC)OC)c1c(cc(c(c1)OC)OC)CCN(C)C(=O)OCC)=O
SPLASH splash10-00fr-0639100000-3f11dafc756fa28c8c49
Source of Spectrum APC-315-269-4
Wiley ID 1788001