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3,5-Dimethyl-2-(methoxycarbonyl)-1H-pyrrole-3-butanoic acid
SpectraBase Compound ID Kvf5Z28m8Xf
InChI InChI=1S/C12H17NO4/c1-7-9(5-4-6-10(14)15)8(2)13-11(7)12(16)17-3/h13H,4-6H2,1-3H3,(H,14,15)
InChIKey GCRFEBMOIVSECD-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 EmCja8vbNJw
Name 3,5-Dimethyl-2-(methoxycarbonyl)-1H-pyrrole-3-butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-7-9(5-4-6-10(14)15)8(2)13-11(7)12(16)17-3/h13H,4-6H2,1-3H3,(H,14,15)
InChIKey GCRFEBMOIVSECD-UHFFFAOYSA-N
Molecular Weight 239.271 g/mol
SMILES [nH]1c(c(CCCC(=O)O)c(c1C(=O)OC)C)C
SPLASH splash10-00lr-0920000000-5604b9b8859f38cb150c
Source of Spectrum F-53-2714-29
Wiley ID 800670