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3-Phenyl-1-(1-phenylethylcarbamoyl)cyclobutanecarboxylic acid ethyl ester

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3-Phenyl-1-(1-phenylethylcarbamoyl)cyclobutanecarboxylic acid ethyl ester
SpectraBase Compound ID LZH7oCwgWeU
InChI InChI=1S/C13H16O2.C9H11NO/c1-2-15-13(14)12-8-11(9-12)10-6-4-3-5-7-10;1-8(10-7-11)9-5-3-2-4-6-9/h3-7,11-12H,2,8-9H2,1H3;2-8H,1H3,(H,10,11)
InChIKey BPVRPYUVSDBRET-UHFFFAOYSA-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 HWc567a11w7
Name 3-Phenyl-1-(1-phenylethylcarbamoyl)cyclobutanecarboxylic acid, ethyl ester
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/C13H16O2.C9H11NO/c1-2-15-13(14)12-8-11(9-12)10-6-4-3-5-7-10;1-8(10-7-11)9-5-3-2-4-6-9/h3-7,11-12H,2,8-9H2,1H3;2-8H,1H3,(H,10,11)
InChIKey BPVRPYUVSDBRET-UHFFFAOYSA-N
Molecular Weight 353.462 g/mol
Nominal Mass 353 u
SMILES N(C=O)C(C)c1ccccc1.C1(CC(C1)C(=O)OCC)c1ccccc1