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2-[3-acetyl-2-methyl-5-(2-nitrophenyl)-1-pyrrolyl]propanoic acid
SpectraBase Compound ID 6xrIRqo4Y3Q
InChI InChI=1S/C16H16N2O5/c1-9-13(11(3)19)8-15(17(9)10(2)16(20)21)12-6-4-5-7-14(12)18(22)23/h4-8,10H,1-3H3,(H,20,21)
InChIKey OIZBFLCPQPKYGO-UHFFFAOYSA-N
Mol Weight 316.31 g/mol
Molecular Formula C16H16N2O5
Exact Mass 316.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2udrJcZTyOm
Name 2-[3-acetyl-2-methyl-5-(2-nitrophenyl)-1-pyrrolyl]propanoic acid
CAS Registry Number 70400-99-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O5
InChI InChI=1S/C16H16N2O5/c1-9-13(11(3)19)8-15(17(9)10(2)16(20)21)12-6-4-5-7-14(12)18(22)23/h4-8,10H,1-3H3,(H,20,21)
InChIKey OIZBFLCPQPKYGO-UHFFFAOYSA-N
Molecular Weight 316.313 g/mol
SMILES OC(C([n]1c(cc(c1C)C(=O)C)-c1c(N(=O)=O)cccc1)C)=O
SPLASH splash10-00ou-9413000000-df10c97bcbaca7bae426
Source of Spectrum Y-16-211-0
Synonyms 2-[3-acetyl-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]propanoic acid 2-[3-acetyl-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]propionic acid 2-[3-ethanoyl-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]propanoic acid
Wiley ID 1316581