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Benzoic acid, [1-cyano-1-(5-oxotetrahydrofuran-2-yl)-3-phenyl]propyl ester
SpectraBase Compound ID 93PHkGwPXIW
InChI InChI=1S/C21H19NO4/c22-15-21(18-11-12-19(23)25-18,14-13-16-7-3-1-4-8-16)26-20(24)17-9-5-2-6-10-17/h1-10,18H,11-14H2
InChIKey ANPMWQJSMZKUFF-UHFFFAOYSA-N
Mol Weight 349.39 g/mol
Molecular Formula C21H19NO4
Exact Mass 349.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mwmq7XlgqQ
Name Benzoic acid, [1-cyano-1-(5-oxotetrahydrofuran-2-yl)-3-phenyl]propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO4
InChI InChI=1S/C21H19NO4/c22-15-21(18-11-12-19(23)25-18,14-13-16-7-3-1-4-8-16)26-20(24)17-9-5-2-6-10-17/h1-10,18H,11-14H2
InChIKey ANPMWQJSMZKUFF-UHFFFAOYSA-N
Molecular Weight 349.386 g/mol
SMILES C1(CCC(=O)O1)C(CCc1ccccc1)(C#N)OC(=O)c1ccccc1
SPLASH splash10-053l-7910000000-07a85338370731d86958
Synonyms benzoic acid [1-cyano-1-(5-oxo-2-oxolanyl)-3-phenylpropyl] ester [1-cyano-1-(5-oxooxolan-2-yl)-3-phenylpropyl] benzoate [1-cyano-1-(5-oxotetrahydrofuran-2-yl)-3-phenyl-propyl] benzoate [1-cyano-1-(5-oxidanylideneoxolan-2-yl)-3-phenyl-propyl] benzoate
Wiley ID 1478709