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

*Links on SpectraBase are not permalinks.
Benzoic acid,3-[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl)methylenimino],methyl ester-
SpectraBase Compound ID 4onAxgLpWQT
InChI InChI=1S/C22H21IN2O2/c1-14-10-20(8-9-21(14)23)25-15(2)11-18(16(25)3)13-24-19-7-5-6-17(12-19)22(26)27-4/h5-13H,1-4H3/b24-13+
InChIKey ZDEATWPWEBYMPK-ZMOGYAJESA-N
Mol Weight 472.33 g/mol
Molecular Formula C22H21IN2O2
Exact Mass 472.064773 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 9SGNLy7wUUU
Name Benzoic acid,3-[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl)methylenimino],methyl ester-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21IN2O2
InChI InChI=1S/C22H21IN2O2/c1-14-10-20(8-9-21(14)23)25-15(2)11-18(16(25)3)13-24-19-7-5-6-17(12-19)22(26)27-4/h5-13H,1-4H3/b24-13+
InChIKey ZDEATWPWEBYMPK-ZMOGYAJESA-N
Molecular Weight 472.326 g/mol
SMILES c1(c(cc(cc1)-[n]1c(c(cc1C)\C=N\c1cccc(c1)C(OC)=O)C)C)I
SPLASH splash10-00di-4921800000-63063744c9e437996205
Synonyms Methyl 3-({(E)-[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}amino)benzoate Methyl 3-({[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}amino)benzoate
Wiley ID 1446949