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Butyric Acid 2,5-Dihydro-2(Z)-isobutylidene-5-oxo-1H-pyrrol-3-yl Ester
SpectraBase Compound ID GdosDV9GIt2
InChI InChI=1S/C12H17NO3/c1-4-5-12(15)16-10-7-11(14)13-9(10)6-8(2)3/h6-8H,4-5H2,1-3H3,(H,13,14)/b9-6-
InChIKey IGUGLMDOLXSPPC-TWGQIWQCSA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98yKp692pIv
Name Butyric Acid 2,5-Dihydro-2(Z)-isobutylidene-5-oxo-1H-pyrrol-3-yl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-4-5-12(15)16-10-7-11(14)13-9(10)6-8(2)3/h6-8H,4-5H2,1-3H3,(H,13,14)/b9-6-
InChIKey IGUGLMDOLXSPPC-TWGQIWQCSA-N
Molecular Weight 223.272 g/mol
SMILES N1C(C=C(\C1=C/C(C)C)OC(=O)CCC)=O
SPLASH splash10-006x-9300000000-90a9ab75e251ab0123e8
Source of Spectrum J-58-4012-9
Synonyms (2Z)-2-(2-methylpropylidene)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl butyrate Butanoic acid[(2Z)-2-(2-methylpropylidene)-5-oxo-3-pyrrolyl]ester Butyric acid[(2Z)-5-keto-2-(2-methylpropylidene)-3-pyrrolin-3-yl]ester [(2Z)-2-(2-methylpropylidene)-5-oxidanylidene-pyrrol-3-yl]butanoate [(2Z)-2-(2-methylpropylidene)-5-oxo-pyrrol-3-yl]butanoate Butanoic acid [(2Z)-2-(2-methylpropylidene)-5-oxo-3-pyrrolyl] ester [(2Z)-2-(2-methylpropylidene)-5-oxopyrrol-3-yl] butanoate [(2Z)-2-(2-methylpropylidene)-5-oxo-pyrrol-3-yl] butanoate [(2Z)-2-(2-methylpropylidene)-5-oxidanylidene-pyrrol-3-yl] butanoate
Wiley ID 1224007