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Diphenidine-m (oxo-ho-benzyl-) ac P1138

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

Diphenidine-m (oxo-ho-benzyl-) ac P1138
SpectraBase Compound ID 3RkQqYRa7Jd
InChI InChI=1S/C21H23NO3/c1-16(23)25-19-12-10-17(11-13-19)15-20(18-7-3-2-4-8-18)22-14-6-5-9-21(22)24/h2-4,7-8,10-13,20H,5-6,9,14-15H2,1H3
InChIKey DVNMGASBJDDQOC-UHFFFAOYSA-N
Mol Weight 337.42 g/mol
Molecular Formula C21H23NO3
Exact Mass 337.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNbqZbce8l3
Name Diphenidine-m (oxo-ho-benzyl-) ac P1138
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.167793602 u
Formula C21H23NO3
InChI InChI=1S/C21H23NO3/c1-16(23)25-19-12-10-17(11-13-19)15-20(18-7-3-2-4-8-18)22-14-6-5-9-21(22)24/h2-4,7-8,10-13,20H,5-6,9,14-15H2,1H3
InChIKey DVNMGASBJDDQOC-UHFFFAOYSA-N
Molecular Weight 337.419 g/mol
SMILES C=1C(=CC=CC1)C(CC1=CC=C(C=C1)OC(=O)C)N1C(CCCC1)=O