For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-(2-(5-(1,3-Dioxoisoindolin-2-yl)pentyl)-5-methoxyphenyl)-1H-pyrrole-3-carbonitrile
SpectraBase Compound ID 1B0SFExhnw6
InChI InChI=1S/C25H23N3O3/c1-31-19-11-10-18(22(14-19)23-13-17(15-26)16-27-23)7-3-2-6-12-28-24(29)20-8-4-5-9-21(20)25(28)30/h4-5,8-11,13-14,16,27H,2-3,6-7,12H2,1H3
InChIKey FSFXLSWYOHAMOK-UHFFFAOYSA-N
Mol Weight 413.48 g/mol
Molecular Formula C25H23N3O3
Exact Mass 413.173942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IJt0y2hhte9
Name 5-(2-(5-(1,3-Dioxoisoindolin-2-yl)pentyl)-5-methoxyphenyl)-1H-pyrrole-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23N3O3
InChI InChI=1S/C25H23N3O3/c1-31-19-11-10-18(22(14-19)23-13-17(15-26)16-27-23)7-3-2-6-12-28-24(29)20-8-4-5-9-21(20)25(28)30/h4-5,8-11,13-14,16,27H,2-3,6-7,12H2,1H3
InChIKey FSFXLSWYOHAMOK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00141
Molecular Weight 413.477 g/mol
SMILES [nH]1c(cc(c1)C#N)-c1c(ccc(c1)OC)CCCCCN1C(c2ccccc2C1=O)=O
SPLASH splash10-004l-4910000000-4703856474a794f80172
Source of Spectrum A1-18-852/SM20-4i
Wiley ID 1805208