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(phenylmethyl) 5-[(4-ethanoyl-5-methyl-1H-pyrrol-2-yl)methyl]-4-(3-ethoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylate

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(phenylmethyl) 5-[(4-ethanoyl-5-methyl-1H-pyrrol-2-yl)methyl]-4-(3-ethoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID LEJa42L9h8W
InChI InChI=1S/C26H30N2O5/c1-5-32-24(30)12-11-21-16(2)25(26(31)33-15-19-9-7-6-8-10-19)28-23(21)14-20-13-22(18(4)29)17(3)27-20/h6-10,13,27-28H,5,11-12,14-15H2,1-4H3
InChIKey NSKCRXIRGKQHPV-UHFFFAOYSA-N
Mol Weight 450.54 g/mol
Molecular Formula C26H30N2O5
Exact Mass 450.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48YRsOoMcB4
Name (phenylmethyl) 5-[(4-ethanoyl-5-methyl-1H-pyrrol-2-yl)methyl]-4-(3-ethoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylate
CAS Registry Number 91238-19-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2O5
InChI InChI=1S/C26H30N2O5/c1-5-32-24(30)12-11-21-16(2)25(26(31)33-15-19-9-7-6-8-10-19)28-23(21)14-20-13-22(18(4)29)17(3)27-20/h6-10,13,27-28H,5,11-12,14-15H2,1-4H3
InChIKey NSKCRXIRGKQHPV-UHFFFAOYSA-N
Molecular Weight 450.535 g/mol
SMILES [nH]1c(Cc2cc(c([nH]2)C)C(=O)C)c(c(c1C(OCc1ccccc1)=O)C)CCC(=O)OCC
SPLASH splash10-1003-0229500000-c5ddcc90d02bb94b48af
Source of Spectrum J-49-3333-0
Synonyms 5-[(4-acetyl-5-methyl-1H-pyrrol-2-yl)methyl]-4-(3-ethoxy-3-keto-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester 5-[(4-acetyl-5-methyl-1H-pyrrol-2-yl)methyl]-4-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester benzyl 5-[(4-acetyl-5-methyl-1H-pyrrol-2-yl)methyl]-4-(3-ethoxy-3-oxo-propyl)-3-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1387779