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(S)-3-[1-(2-Pyridinyl)ethyl]-2,4-pentadione
SpectraBase Compound ID Gd0vJgTWWKb
InChI InChI=1S/C12H15NO2/c1-8(11-6-4-5-7-13-11)12(9(2)14)10(3)15/h4-8,12H,1-3H3/t8-/m1/s1
InChIKey IOZZBUVBPJLCCU-MRVPVSSYSA-N
Mol Weight 205.26 g/mol
Molecular Formula C12H15NO2
Exact Mass 205.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7HcI2YeJFM
Name (S)-3-[1-(2-Pyridinyl)ethyl]-2,4-pentadione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO2
InChI InChI=1S/C12H15NO2/c1-8(11-6-4-5-7-13-11)12(9(2)14)10(3)15/h4-8,12H,1-3H3/t8-/m1/s1
InChIKey IOZZBUVBPJLCCU-MRVPVSSYSA-N
Molecular Weight 205.257 g/mol
SMILES C([C@@](c1ncccc1)(C)[H])(C(=O)C)C(=O)C
SPLASH splash10-00dj-0900000000-a986c83f6c4b3b4b5991
Source of Spectrum E2-50-699-3
Synonyms 3-[(1S)-1-(2-pyridinyl)ethyl]-2,4-pentanedione
Wiley ID 1555816