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1H-Pyrrole-3-propanoic acid, 2-[[2-(ethoxycarbonyl)phenyl]azo]-5-[(4-ethyl-1,5-dihydro-3-methyl-5- oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, methyl ester
SpectraBase Compound ID IppgadpV4bU
InChI InChI=1S/C26H30N4O5/c1-6-17-15(3)22(28-25(17)32)14-21-16(4)18(12-13-23(31)34-5)24(27-21)30-29-20-11-9-8-10-19(20)26(33)35-7-2/h8-11,14,27H,6-7,12-13H2,1-5H3,(H,28,32)/b22-14-,30-29+
InChIKey PMDLAKBDLPRAJD-RWCRXPETSA-N
Mol Weight 478.55 g/mol
Molecular Formula C26H30N4O5
Exact Mass 478.22162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2wbMYcOWBo
Name 1H-Pyrrole-3-propanoic acid, 2-[[2-(ethoxycarbonyl)phenyl]azo]-5-[(4-ethyl-1,5-dihydro-3-methyl-5- oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, methyl ester
CAS Registry Number 62290-62-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N4O5
InChI InChI=1S/C26H30N4O5/c1-6-17-15(3)22(28-25(17)32)14-21-16(4)18(12-13-23(31)34-5)24(27-21)30-29-20-11-9-8-10-19(20)26(33)35-7-2/h8-11,14,27H,6-7,12-13H2,1-5H3,(H,28,32)/b22-14-,30-29+
InChIKey PMDLAKBDLPRAJD-RWCRXPETSA-N
Molecular Weight 478.549 g/mol
SMILES [nH]1c(\C=C/2NC(C(=C2C)CC)=O)c(c(CCC(=O)OC)c1\N=N\c1c(C(=O)OCC)cccc1)C
SPLASH splash10-01t9-0304900000-331dc169dc51af3b65a0
Source of Spectrum KO-3-158-2
Synonyms 2-(o-ethoxycarbonylphenylazo)-3-(2-methoxycarbonylethyl)-4-methyl-5-((2,5-dihydro-3-methyl-4-ethyl-5-oxo-2-pyrrolylidene)methyl)pyrrole Ethyl 2-{(E)-[5-[(Z)-(4-ethyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]diazenyl}benzoate
Wiley ID 1394742