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4-(2-Ethoxycarbonylpyrrol-4-yl)-4-oxobutyric acid

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4-(2-Ethoxycarbonylpyrrol-4-yl)-4-oxobutyric acid
SpectraBase Compound ID 5dym8JdJlIQ
InChI InChI=1S/C11H13NO5/c1-2-17-11(16)8-5-7(6-12-8)9(13)3-4-10(14)15/h5-6,12H,2-4H2,1H3,(H,14,15)
InChIKey UYAREPYLHMHXQP-UHFFFAOYSA-N
Mol Weight 239.23 g/mol
Molecular Formula C11H13NO5
Exact Mass 239.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID m5f1kRvatR
Name 4-(2-Ethoxycarbonylpyrrol-4-yl)-4-oxobutyric acid
Alternate Name(s) 4-(5-carbethoxy-1H-pyrrol-3-yl)-4-keto-butyric acid 4-(5-ethoxycarbonyl-1H-pyrrol-3-yl)-4-oxidanylidene-butanoic acid 4-[5-(ethoxycarbonyl)-1H-pyrrol-3-yl]-4-oxobutanoic acid 4-(5-ethoxycarbonyl-1H-pyrrol-3-yl)-4-oxobutanoic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO5
InChI InChI=1S/C11H13NO5/c1-2-17-11(16)8-5-7(6-12-8)9(13)3-4-10(14)15/h5-6,12H,2-4H2,1H3,(H,14,15)
InChIKey UYAREPYLHMHXQP-UHFFFAOYSA-N
Molecular Weight 239.227 g/mol
SMILES [nH]1cc(C(CCC(=O)O)=O)cc1C(=O)OCC
SPLASH splash10-014i-0920000000-bce47b7abf8dc2260746
Source of Spectrum E1-44-59-4
Wiley ID 1553232