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

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2-Amino-4-(4-(3-(1,3-dioxoisoindolin-2-yl)propoxy)phenyl)-7-methyl-5-oxo-4,4a,5,8a-tetrahydropyrano[4,3-b]pyran-3-carbonitrile
SpectraBase Compound ID Jf2DLzjF3Mz
InChI InChI=1S/C27H21N3O6/c1-15-13-21-23(27(33)35-15)22(20(14-28)24(29)36-21)16-7-9-17(10-8-16)34-12-4-11-30-25(31)18-5-2-3-6-19(18)26(30)32/h2-3,5-10,13,22H,4,11-12,29H2,1H3
InChIKey OAUPTIIUFOKNPO-UHFFFAOYSA-N
Mol Weight 483.48 g/mol
Molecular Formula C27H21N3O6
Exact Mass 483.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7AYopZCqxwE
Name 2-Amino-4-(4-(3-(1,3-dioxoisoindolin-2-yl)propoxy)phenyl)-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 C27H21N3O6
InChI InChI=1S/C27H21N3O6/c1-15-13-21-23(27(33)35-15)22(20(14-28)24(29)36-21)16-7-9-17(10-8-16)34-12-4-11-30-25(31)18-5-2-3-6-19(18)26(30)32/h2-3,5-10,13,22H,4,11-12,29H2,1H3
InChIKey OAUPTIIUFOKNPO-UHFFFAOYSA-N
Instrument Name Agilent Technology
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3204
Molecular Weight 483.480 g/mol
SMILES NC1=C(C(C2=C(O1)C=C(OC2=O)C)c1ccc(cc1)OCCCN1C(c2c(C1=O)cccc2)=O)C#N
SPLASH splash10-01p9-0900000000-96e12521efc3b43b13e3
Source of Spectrum Y-55-1683-8c
Wiley ID 1879198