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3-[2-(2,5-dimethylpyrrol-1-yl)-4-pyridyl]propionic acid
SpectraBase Compound ID 3pVjAsrUjqL
InChI InChI=1S/C14H16N2O2/c1-10-3-4-11(2)16(10)13-9-12(7-8-15-13)5-6-14(17)18/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)
InChIKey IFDKWRLJPFXZGQ-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C14H16N2O2
Exact Mass 244.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83G1iuZMeeG
Name 3-[2-(2,5-dimethylpyrrol-1-yl)-4-pyridyl]propionic acid
Alternate Name(s) 3-[2-(2,5-dimethyl-1-pyrrolyl)-4-pyridinyl]propanoic acid 3-[2-(2,5-dimethylpyrrol-1-yl)-4-pyridyl]propanoic acid
CAS Registry Number 119836-21-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O2
InChI InChI=1S/C14H16N2O2/c1-10-3-4-11(2)16(10)13-9-12(7-8-15-13)5-6-14(17)18/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)
InChIKey IFDKWRLJPFXZGQ-UHFFFAOYSA-N
Molecular Weight 244.294 g/mol
SMILES OC(CCc1cc(-[n]2c(ccc2C)C)ncc1)=O
SPLASH splash10-0006-2090000000-311dfd850677873dd05d
Source of Spectrum KC-1988-2796-20
Wiley ID 1247151