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Benzoic acid, 2-(1-oxo-3-phenyl-2-propenyl)-, diisopropyl-ammonium salt

View entire compound with spectra: 1 NMR, and 1 FTIR

Benzoic acid, 2-(1-oxo-3-phenyl-2-propenyl)-, diisopropyl-ammonium salt
SpectraBase Compound ID 6GLi9mluPxS
InChI InChI=1S/C16H12O3.C6H15N/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19;1-5(2)7-6(3)4/h1-11H,(H,18,19);5-7H,1-4H3/b11-10+;
InChIKey LGVRPGJRINZTSR-ASTDGNLGSA-N
Mol Weight 353.46 g/mol
Molecular Formula C22H27NO3
Exact Mass 353.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3D611Qz2kJe
Name Benzoic acid, 2-(1-oxo-3-phenyl-2-propenyl)-, diisopropyl-ammonium salt
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.199093730 u
Formula C22H27NO3
InChI InChI=1S/C16H12O3.C6H15N/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19;1-5(2)7-6(3)4/h1-11H,(H,18,19);5-7H,1-4H3/b11-10+;
InChIKey LGVRPGJRINZTSR-ASTDGNLGSA-N
Molecular Weight 353.462 g/mol
SMILES C1(=C(C=CC=C1)C(\C=C\C1=CC=CC=C1)=O)C([O-])=O.[NH2+](C(C)C)C(C)C