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5-Chlorovaleryl amide, N-(2-phenylethyl)-N-(2-ethylhexyl)-

View entire compound with spectra: 1 NMR, and 1 FTIR

5-Chlorovaleryl amide, N-(2-phenylethyl)-N-(2-ethylhexyl)-
SpectraBase Compound ID 93HWA1T1JJF
InChI InChI=1S/C21H34ClNO/c1-3-5-11-19(4-2)18-23(21(24)14-9-10-16-22)17-15-20-12-7-6-8-13-20/h6-8,12-13,19H,3-5,9-11,14-18H2,1-2H3
InChIKey YWVXHTCAPUUHHC-UHFFFAOYSA-N
Mol Weight 352.0 g/mol
Molecular Formula C21H34ClNO
Exact Mass 351.232892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7CFdpx0ULn
Name 5-Chlorovaleryl amide, N-(2-phenylethyl)-N-(2-ethylhexyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.232892418 u
Formula C21H34ClNO
InChI InChI=1S/C21H34ClNO/c1-3-5-11-19(4-2)18-23(21(24)14-9-10-16-22)17-15-20-12-7-6-8-13-20/h6-8,12-13,19H,3-5,9-11,14-18H2,1-2H3
InChIKey YWVXHTCAPUUHHC-UHFFFAOYSA-N
Molecular Weight 351.962 g/mol
SMILES C1=CC=C(C=C1)CCN(C(CCCCCl)=O)CC(CCCC)CC