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ethyl 4-(6-methoxy-6-oxohexanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID Aj1RNMbga9h
InChI InChI=1S/C16H23NO5/c1-5-22-16(20)15-10(2)14(11(3)17-15)12(18)8-6-7-9-13(19)21-4/h17H,5-9H2,1-4H3
InChIKey FZROWLQSUZCWPA-UHFFFAOYSA-N
Mol Weight 309.36 g/mol
Molecular Formula C16H23NO5
Exact Mass 309.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpWBZ1wWKEe
Name Ethyl 4-(6-methoxy-6-oxohexanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CAS Registry Number 64393-52-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO5
InChI InChI=1S/C16H23NO5/c1-5-22-16(20)15-10(2)14(11(3)17-15)12(18)8-6-7-9-13(19)21-4/h17H,5-9H2,1-4H3
InChIKey FZROWLQSUZCWPA-UHFFFAOYSA-N
Molecular Weight 309.362 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCC)C)C(=O)CCCCC(=O)OC)C
SPLASH splash10-052g-1921000000-9d77664178c192bffc3b
Source of Spectrum AD-0-2532-0
Synonyms 4-(6-keto-6-methoxy-hexanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester 4-(6-Methoxy-1,6-dioxohexyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 4-(6-methoxy-6-oxidanylidene-hexanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Pyrrole-2-carboxylic acid, 4-(5-methoxycarbonyl-1-oxopentyl)-3,5-dimethyl-, ethyl ester
Wiley ID 1430033