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(3S)-1-chloro-3-(dibenzylamino)-5-methyl-hexan-2-one

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

(3S)-1-chloro-3-(dibenzylamino)-5-methyl-hexan-2-one
SpectraBase Compound ID GrYfjjRZl2W
InChI InChI=1S/C21H26ClNO/c1-17(2)13-20(21(24)14-22)23(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3/t20-/m0/s1
InChIKey HKEMJYODGLZJCX-FQEVSTJZSA-N
Mol Weight 343.9 g/mol
Molecular Formula C21H26ClNO
Exact Mass 343.170292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4E6kf89XzZA
Name (3S)-1-Chloro-3-(dibenzylamino)-5-methyl-hexan-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.170292160 u
Formula C21H26ClNO
InChI InChI=1S/C21H26ClNO/c1-17(2)13-20(21(24)14-22)23(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3/t20-/m0/s1
InChIKey HKEMJYODGLZJCX-FQEVSTJZSA-N
Molecular Weight 343.898 g/mol
SMILES [C@](N(CC=1C=CC=CC1)CC=1C=CC=CC1)(C(=O)CCl)(CC(C)C)[H]