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6-(3,4-Dimethyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid
SpectraBase Compound ID 4zy4wc8vJd
InChI InChI=1S/C12H17NO4/c1-8-9(2)12(17)13(11(8)16)7-5-3-4-6-10(14)15/h3-7H2,1-2H3,(H,14,15)
InChIKey LQRDWDFBWXZAOS-UHFFFAOYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L50kiQl3rng
Name 6-(3,4-Dimethyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid
Alternate Name(s) 6-(2,5-diketo-3,4-dimethyl-3-pyrrolin-1-yl)hexanoic acid 6-(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)hexanoic acid 6-(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)hexanoic acid 6-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoic acid Hexanoic acid, 6-(3,4-dimethyl-2,5-dioxo-3-pyrrolin-1-yl)-
CAS Registry Number 63751-10-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-8-9(2)12(17)13(11(8)16)7-5-3-4-6-10(14)15/h3-7H2,1-2H3,(H,14,15)
InChIKey LQRDWDFBWXZAOS-UHFFFAOYSA-N
Molecular Weight 239.271 g/mol
SMILES OC(CCCCCN1C(C(C)=C(C1=O)C)=O)=O
SPLASH splash10-000i-5910000000-c2d284c30e9b75795a7e
Source of Spectrum AD-0-2532-0
Wiley ID 1420444