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4-[2,5-dimethyl-3-(quinolin-6-yliminomethyl)-pyrrol-1-yl]-benzoic acid ethyl ester
SpectraBase Compound ID HPIv3Twby3r
InChI InChI=1S/C25H23N3O2/c1-4-30-25(29)19-7-10-23(11-8-19)28-17(2)14-21(18(28)3)16-27-22-9-12-24-20(15-22)6-5-13-26-24/h5-16H,4H2,1-3H3/b27-16+
InChIKey VMWQRAYSUWBPJM-JVWAILMASA-N
Mol Weight 397.48 g/mol
Molecular Formula C25H23N3O2
Exact Mass 397.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LP7NEteouIf
Name 4-[2,5-dimethyl-3-(quinolin-6-yliminomethyl)-pyrrol-1-yl]-benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23N3O2
InChI InChI=1S/C25H23N3O2/c1-4-30-25(29)19-7-10-23(11-8-19)28-17(2)14-21(18(28)3)16-27-22-9-12-24-20(15-22)6-5-13-26-24/h5-16H,4H2,1-3H3/b27-16+
InChIKey VMWQRAYSUWBPJM-JVWAILMASA-N
Molecular Weight 397.478 g/mol
SMILES c1(c(cc([n]1-c1ccc(cc1)C(OCC)=O)C)\C=N\c1ccc2c(cccn2)c1)C
SPLASH splash10-0002-1419000000-9a1c5c2ab7fb1100e04a
Synonyms Ethyl 4-{2,5-dimethyl-3-[(6-quinolinylimino)methyl]-1H-pyrrol-1-yl}benzoate Ethyl 4-{2,5-dimethyl-3-[(E)-(6-quinolinylimino)methyl]-1H-pyrrol-1-yl}benzoate
Wiley ID 1438693