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(E)-benzyl 5-phenyl-2-(1H-pyrrol-2-yl)pent-2-enoate
SpectraBase Compound ID 3HPLhEtPk9E
InChI InChI=1S/C22H21NO2/c24-22(25-17-19-11-5-2-6-12-19)20(21-15-8-16-23-21)14-7-13-18-9-3-1-4-10-18/h1-6,8-12,14-16,23H,7,13,17H2/b20-14+
InChIKey OAFISMXWAFULRK-XSFVSMFZSA-N
Mol Weight 331.42 g/mol
Molecular Formula C22H21NO2
Exact Mass 331.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUNGyGNKYPW
Name (E)-benzyl 5-phenyl-2-(1H-pyrrol-2-yl)pent-2-enoate
Alternate Name(s) benzyl (E)-5-phenyl-2-(1H-pyrrol-2-yl)pent-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO2
InChI InChI=1S/C22H21NO2/c24-22(25-17-19-11-5-2-6-12-19)20(21-15-8-16-23-21)14-7-13-18-9-3-1-4-10-18/h1-6,8-12,14-16,23H,7,13,17H2/b20-14+
InChIKey OAFISMXWAFULRK-XSFVSMFZSA-N
Literature Reference DOI 10.1039/C6RA05348C
Molecular Weight 331.415 g/mol
SMILES [nH]1c(ccc1)\C(=C/CCc1ccccc1)C(OCc1ccccc1)=O
SPLASH splash10-0006-9020000000-e418c1aa72a7ae3eb656
Source of Spectrum RSA-6-44341/SM3-(E)_4fa
Wiley ID 1807182