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2-Amino-4-(4-(4-(1,3-dioxoisoindolin-2-yl)butoxy)-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-(4-(1,3-dioxoisoindolin-2-yl)butoxy)-3-methoxyphenyl)-7-methyl-5-oxo-4,4a,5,8a-tetrahydropyrano[4,3-b]pyran-3-carbonitrile
SpectraBase Compound ID AUa6uwwmCr1
InChI InChI=1S/C29H25N3O7/c1-16-13-23-25(29(35)38-16)24(20(15-30)26(31)39-23)17-9-10-21(22(14-17)36-2)37-12-6-5-11-32-27(33)18-7-3-4-8-19(18)28(32)34/h3-4,7-10,13-14,24H,5-6,11-12,31H2,1-2H3
InChIKey PVEONGVRSURAQC-UHFFFAOYSA-N
Mol Weight 527.53 g/mol
Molecular Formula C29H25N3O7
Exact Mass 527.16925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56F8qvnzFHR
Name 2-Amino-4-(4-(4-(1,3-dioxoisoindolin-2-yl)butoxy)-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 C29H25N3O7
InChI InChI=1S/C29H25N3O7/c1-16-13-23-25(29(35)38-16)24(20(15-30)26(31)39-23)17-9-10-21(22(14-17)36-2)37-12-6-5-11-32-27(33)18-7-3-4-8-19(18)28(32)34/h3-4,7-10,13-14,24H,5-6,11-12,31H2,1-2H3
InChIKey PVEONGVRSURAQC-UHFFFAOYSA-N
Instrument Name Agilent Technology
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3204
Molecular Weight 527.533 g/mol
SMILES NC1=C(C(C2=C(O1)C=C(OC2=O)C)c1cc(c(cc1)OCCCCN1C(c2c(C1=O)cccc2)=O)OC)C#N
SPLASH splash10-0ik9-0950000000-c43e607e7a9d5b27ee74
Source of Spectrum Y-55-1684-8g
Wiley ID 1879201