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2-Amino-4-(4-((1,3-dioxoisoindolin-2-yl)methoxy)-3-methoxyphenyl)-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-methoxyphenyl)-7-methyl-5-oxo-4,4a,5,8a-tetrahydropyrano[4,3-b]pyran-3-carbonitrile
SpectraBase Compound ID DZoG1wNxzUu
InChI InChI=1S/C26H19N3O7/c1-13-9-20-22(26(32)35-13)21(17(11-27)23(28)36-20)14-7-8-18(19(10-14)33-2)34-12-29-24(30)15-5-3-4-6-16(15)25(29)31/h3-10,21H,12,28H2,1-2H3
InChIKey NLVQKLVKPQJHJZ-UHFFFAOYSA-N
Mol Weight 485.45 g/mol
Molecular Formula C26H19N3O7
Exact Mass 485.1223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uPK3EEkJ8I
Name 2-Amino-4-(4-((1,3-dioxoisoindolin-2-yl)methoxy)-3-methoxyphenyl)-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 C26H19N3O7
InChI InChI=1S/C26H19N3O7/c1-13-9-20-22(26(32)35-13)21(17(11-27)23(28)36-20)14-7-8-18(19(10-14)33-2)34-12-29-24(30)15-5-3-4-6-16(15)25(29)31/h3-10,21H,12,28H2,1-2H3
InChIKey NLVQKLVKPQJHJZ-UHFFFAOYSA-N
Instrument Name Agilent Technology
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3204
Molecular Weight 485.452 g/mol
SMILES NC1=C(C(C2=C(O1)C=C(OC2=O)C)c1cc(c(cc1)OCN1C(c2c(C1=O)cccc2)=O)OC)C#N
SPLASH splash10-03di-2900000000-e9da9f0efbb5e2fecaa1
Source of Spectrum Y-55-1683-8e
Wiley ID 1879200