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2-Butenoic acid, 2-methyl-, 2-[[[2-(3-oxo-1-propenyl)-1H-pyrrol-3-yl]methoxy]carbonyl]-2-butenyl ester, (E,E,?)-
SpectraBase Compound ID 4GtfG0SJvz7
InChI InChI=1S/C18H21NO5/c1-4-13(3)11-23-17(21)15(5-2)18(22)24-12-14-8-9-19-16(14)7-6-10-20/h4-10,19H,11-12H2,1-3H3/b7-6+,13-4+,15-5-
InChIKey CYUKBGSGRHENHZ-RPFRQUFCSA-N
Mol Weight 331.37 g/mol
Molecular Formula C18H21NO5
Exact Mass 331.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvN59EaeNdb
Name 2-Butenoic acid, 2-methyl-, 2-[[[2-(3-oxo-1-propenyl)-1H-pyrrol-3-yl]methoxy]carbonyl]-2-butenyl ester, (E,E,?)-
CAS Registry Number 62706-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO5
InChI InChI=1S/C18H21NO5/c1-4-13(3)11-23-17(21)15(5-2)18(22)24-12-14-8-9-19-16(14)7-6-10-20/h4-10,19H,11-12H2,1-3H3/b7-6+,13-4+,15-5-
InChIKey CYUKBGSGRHENHZ-RPFRQUFCSA-N
Molecular Weight 331.368 g/mol
SMILES [nH]1ccc(c1\C=C\C=O)COC(\C(C(OC\C(=C\C)C)=O)=C/C)=O
SPLASH splash10-001i-9200000000-df81c7f0c4bdf486cde0
Source of Spectrum K-110-486-0
Synonyms 1-[(2E)-2-methyl-2-butenyl]3-({2-[(1E)-3-oxo-1-propenyl]-1H-pyrrol-3-yl}methyl) (2Z)-2-ethylidenepropanedioate 3-(2-Ethylidene-6-methyl-1,5-dioxo-4-oxa-6-octen-1-yloxy)-2-(2-propenal-3-yl)pyrrole
Wiley ID 1328680