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Allyl-2-((allyloxy)carbonyl)-5-(2,4-dimethyl-5-(ethoxycarbonyl)-1H-pyrrol-3-yl)hexanoate
SpectraBase Compound ID 3TajkrkzAXe
InChI InChI=1S/C22H31NO6/c1-7-12-28-20(24)17(21(25)29-13-8-2)11-10-14(4)18-15(5)19(23-16(18)6)22(26)27-9-3/h7-8,14,17,23H,1-2,9-13H2,3-6H3
InChIKey LAXQUCXFQRMEDQ-UHFFFAOYSA-N
Mol Weight 405.49 g/mol
Molecular Formula C22H31NO6
Exact Mass 405.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtgooxGHtvx
Name Allyl-2-((allyloxy)carbonyl)-5-(2,4-dimethyl-5-(ethoxycarbonyl)-1H-pyrrol-3-yl)hexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO6
InChI InChI=1S/C22H31NO6/c1-7-12-28-20(24)17(21(25)29-13-8-2)11-10-14(4)18-15(5)19(23-16(18)6)22(26)27-9-3/h7-8,14,17,23H,1-2,9-13H2,3-6H3
InChIKey LAXQUCXFQRMEDQ-UHFFFAOYSA-N
Molecular Weight 405.491 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCC)C)C(CCC(C(=O)OCC=C)C(=O)OCC=C)C)C
SPLASH splash10-0007-0900100000-fd24f92fe78500d32601
Source of Spectrum C-117-8735-21
Synonyms Allyl (S)-2-((allyloxy)carbonyl)-5-(2,4-dimethyl-5-(ethoxycarbonyl)-1H-pyrrol-3-yl)hexanoate diallyl 2-{3-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]butyl}malonate
Wiley ID 758971