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2-Amino-4-(4-((1,3-dioxoisoindolin-2-yl)methoxy)-3,5-dimethoxyphenyl)-7-methyl-5-oxo-4,4a,5,8a-tetrahydropyrano[4,3-b]pyran-3-carbonitrile

View entire compound with spectra: 1 MS (GC)

2-Amino-4-(4-((1,3-dioxoisoindolin-2-yl)methoxy)-3,5-dimethoxyphenyl)-7-methyl-5-oxo-4,4a,5,8a-tetrahydropyrano[4,3-b]pyran-3-carbonitrile
SpectraBase Compound ID KtUJHG1GdXT
InChI InChI=1S/C27H21N3O8/c1-13-8-18-22(27(33)37-13)21(17(11-28)24(29)38-18)14-9-19(34-2)23(20(10-14)35-3)36-12-30-25(31)15-6-4-5-7-16(15)26(30)32/h4-10,21H,12,29H2,1-3H3
InChIKey GFYOWKZRTIEPKO-UHFFFAOYSA-N
Mol Weight 515.48 g/mol
Molecular Formula C27H21N3O8
Exact Mass 515.132865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZu8w7mMW99
Name 2-Amino-4-(4-((1,3-dioxoisoindolin-2-yl)methoxy)-3,5-dimethoxyphenyl)-7-methyl-5-oxo-4,4a,5,8a-tetrahydropyrano[4,3-b]pyran-3-carbonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21N3O8
InChI InChI=1S/C27H21N3O8/c1-13-8-18-22(27(33)37-13)21(17(11-28)24(29)38-18)14-9-19(34-2)23(20(10-14)35-3)36-12-30-25(31)15-6-4-5-7-16(15)26(30)32/h4-10,21H,12,29H2,1-3H3
InChIKey GFYOWKZRTIEPKO-UHFFFAOYSA-N
Instrument Name Agilent Technology
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3204
Molecular Weight 515.478 g/mol
SMILES NC1=C(C(C2=C(O1)C=C(OC2=O)C)c1cc(c(c(c1)OC)OCN1C(c2c(C1=O)cccc2)=O)OC)C#N
SPLASH splash10-03di-0900000000-8c00c3aee699fdccf3c3
Source of Spectrum Y-55-1683-8d
Wiley ID 1879199