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2-Chloro-N-[2-(2-isopropyl-5-methyl-phenoxy)-ethyl]-benzamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-Chloro-N-[2-(2-isopropyl-5-methyl-phenoxy)-ethyl]-benzamide
SpectraBase Compound ID IQJI1q57iv2
InChI InChI=1S/C19H22ClNO2/c1-13(2)15-9-8-14(3)12-18(15)23-11-10-21-19(22)16-6-4-5-7-17(16)20/h4-9,12-13H,10-11H2,1-3H3,(H,21,22)
InChIKey GKBMEFDXHPBBNG-UHFFFAOYSA-N
Mol Weight 331.84 g/mol
Molecular Formula C19H22ClNO2
Exact Mass 331.133907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7WpV6vAyFNj
Name 2-Chloro-N-[2-(2-isopropyl-5-methyl-phenoxy)-ethyl]-benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.133906650 u
Formula C19H22ClNO2
InChI InChI=1S/C19H22ClNO2/c1-13(2)15-9-8-14(3)12-18(15)23-11-10-21-19(22)16-6-4-5-7-17(16)20/h4-9,12-13H,10-11H2,1-3H3,(H,21,22)
InChIKey GKBMEFDXHPBBNG-UHFFFAOYSA-N
Molecular Weight 331.843 g/mol
SMILES C1(C(=O)NCCOC2=C(C=CC(=C2)C)C(C)C)=C(Cl)C=CC=C1