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1H-Pyrrole-3-propanoic acid, 4-acetyl-5-methyl-
SpectraBase Compound ID 6E9KSTJKVB6
InChI InChI=1S/C10H13NO3/c1-6-10(7(2)12)8(5-11-6)3-4-9(13)14/h5,11H,3-4H2,1-2H3,(H,13,14)
InChIKey PNZIZPJYPBTHTM-UHFFFAOYSA-N
Mol Weight 195.22 g/mol
Molecular Formula C10H13NO3
Exact Mass 195.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtKXWtuyLc1
Name 1H-Pyrrole-3-propanoic acid, 4-acetyl-5-methyl-
CAS Registry Number 38664-17-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO3
InChI InChI=1S/C10H13NO3/c1-6-10(7(2)12)8(5-11-6)3-4-9(13)14/h5,11H,3-4H2,1-2H3,(H,13,14)
InChIKey PNZIZPJYPBTHTM-UHFFFAOYSA-N
Molecular Weight 195.218 g/mol
SMILES [nH]1cc(CCC(=O)O)c(c1C)C(=O)C
SPLASH splash10-007a-3900000000-8385ffc6603c238ca40b
Synonyms 3-(4-Acetyl-5-methyl-1H-pyrrol-3-yl)propanoic acid 3-(4-acetyl-5-methyl-1H-pyrrol-3-yl)propionic acid 3-(4-Ethanoyl-5-methyl-1H-pyrrol-3-yl)propanoic acid
Wiley ID 1487128