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Butyl (2E,4Z)-5-((dimethylcarbamoyl)oxy)-5-(thiophen-2-yl)penta-2,4-dienoate
SpectraBase Compound ID 7EezmcOJ5UN
InChI InChI=1S/C16H21NO4S/c1-4-5-11-20-15(18)10-6-8-13(14-9-7-12-22-14)21-16(19)17(2)3/h6-10,12H,4-5,11H2,1-3H3/b10-6+,13-8-
InChIKey JKQLRKBSNZMHGY-YSVBXXGOSA-N
Mol Weight 323.41 g/mol
Molecular Formula C16H21NO4S
Exact Mass 323.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Agyj98h6AeL
Name Butyl (2E,4Z)-5-((dimethylcarbamoyl)oxy)-5-(thiophen-2-yl)penta-2,4-dienoate
Alternate Name(s) (2E,4Z)-butyl 5-((dimethylcarbamoyl)oxy)-5-(thiophen-2-yl)penta-2,4-dienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO4S
InChI InChI=1S/C16H21NO4S/c1-4-5-11-20-15(18)10-6-8-13(14-9-7-12-22-14)21-16(19)17(2)3/h6-10,12H,4-5,11H2,1-3H3/b10-6+,13-8-
InChIKey JKQLRKBSNZMHGY-YSVBXXGOSA-N
Literature Reference DOI 10.1021/ol500258q
Molecular Weight 323.407 g/mol
SMILES c1(\C(OC(N(C)C)=O)=C\C=C\C(OCCCC)=O)cccs1
SPLASH splash10-00di-9231000000-636b94c5eeb258c0efcc
Source of Spectrum A1-16-1630/SMS22-3ka
Wiley ID 1749274