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4-(1-oxopropyl)-3-(2-pyridinyl)benzoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

4-(1-oxopropyl)-3-(2-pyridinyl)benzoic acid methyl ester
SpectraBase Compound ID 48dGZXgiMoG
InChI InChI=1S/C16H15NO3/c1-3-15(18)12-8-7-11(16(19)20-2)10-13(12)14-6-4-5-9-17-14/h4-10H,3H2,1-2H3
InChIKey YLSMZSGXLDMVHU-UHFFFAOYSA-N
Mol Weight 269.3 g/mol
Molecular Formula C16H15NO3
Exact Mass 269.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITpqlDG749p
Name 4-(1-oxopropyl)-3-(2-pyridinyl)benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO3
InChI InChI=1S/C16H15NO3/c1-3-15(18)12-8-7-11(16(19)20-2)10-13(12)14-6-4-5-9-17-14/h4-10H,3H2,1-2H3
InChIKey YLSMZSGXLDMVHU-UHFFFAOYSA-N
Molecular Weight 269.300 g/mol
SMILES c1(c(ccc(c1)C(=O)OC)C(=O)CC)-c1ncccc1
SPLASH splash10-0006-1090000000-6876d56c670d329ad74f
Source of Spectrum J-62-2609-23
Synonyms 4-Propionyl-3-(2-pyridyl)benzoic acid methyl ester Methyl 4-propanoyl-3-(2-pyridyl)benzoate Methyl 4-propanoyl-3-pyridin-2-yl-benzoate
Wiley ID 1273334