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3,3-Diphenyl-3-hydroxypropanenitrile, 2-(t-butoxycarbonylamino)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3,3-Diphenyl-3-hydroxypropanenitrile, 2-(t-butoxycarbonylamino)-
SpectraBase Compound ID 8Huh5hprMS3
InChI InChI=1S/C20H22N2O3/c1-19(2,3)25-18(23)22-17(14-21)20(24,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17,24H,1-3H3,(H,22,23)
InChIKey ZAQUXACZGVBGGK-UHFFFAOYSA-N
Mol Weight 338.41 g/mol
Molecular Formula C20H22N2O3
Exact Mass 338.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JTYPNmRklmy
Name 3,3-Diphenyl-3-hydroxypropanenitrile, 2-(T-butoxycarbonylamino)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.163042573 u
Formula C20H22N2O3
InChI InChI=1S/C20H22N2O3/c1-19(2,3)25-18(23)22-17(14-21)20(24,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17,24H,1-3H3,(H,22,23)
InChIKey ZAQUXACZGVBGGK-UHFFFAOYSA-N
Molecular Weight 338.407 g/mol
SMILES C1=CC=C(C=C1)C(C(C#N)NC(=O)OC(C)(C)C)(O)C1=CC=CC=C1