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5-[(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid
SpectraBase Compound ID 2MW7Qn1IWqO
InChI InChI=1S/C17H22N2O3/c1-6-12-8(2)16(17(21)22)19-14(12)7-13-9(3)15(11(5)20)10(4)18-13/h18-19H,6-7H2,1-5H3,(H,21,22)
InChIKey JLOMDGPNTBMWOG-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C17H22N2O3
Exact Mass 302.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wfZdp6R18I
Name 5-[(4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid
Alternate Name(s) 5-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid Pyrrole-2-carboxylic acid, 5-(4-acetyl-3,5-dimethyl-2-pyrrolylmethyl)-4-ethyl-3-methyl-
CAS Registry Number 66154-78-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O3
InChI InChI=1S/C17H22N2O3/c1-6-12-8(2)16(17(21)22)19-14(12)7-13-9(3)15(11(5)20)10(4)18-13/h18-19H,6-7H2,1-5H3,(H,21,22)
InChIKey JLOMDGPNTBMWOG-UHFFFAOYSA-N
Molecular Weight 302.374 g/mol
SMILES [nH]1c(C(=O)O)c(c(CC)c1Cc1[nH]c(c(c1C)C(=O)C)C)C
SPLASH splash10-0kmi-1930000000-e672e56b3e099d9832ca
Source of Spectrum AD-0-2532-0
Wiley ID 1431261