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3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-hexyl-

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3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-hexyl-
SpectraBase Compound ID 7aflzvs7BEt
InChI InChI=1S/C23H39NO/c1-6-7-8-12-16-24(17-15-21-13-10-9-11-14-21)22(25)18-20(2)19-23(3,4)5/h9-11,13-14,20H,6-8,12,15-19H2,1-5H3
InChIKey ACVHWJFQEYOBMA-UHFFFAOYSA-N
Mol Weight 345.6 g/mol
Molecular Formula C23H39NO
Exact Mass 345.303165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTfWPYTOhr
Name 3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-hexyl-
Comments Computed using HOSE algorithm
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Exact Mass 345.303164879 u
Formula C23H39NO
InChI InChI=1S/C23H39NO/c1-6-7-8-12-16-24(17-15-21-13-10-9-11-14-21)22(25)18-20(2)19-23(3,4)5/h9-11,13-14,20H,6-8,12,15-19H2,1-5H3
InChIKey ACVHWJFQEYOBMA-UHFFFAOYSA-N
Molecular Weight 345.571 g/mol
SMILES C(CC(CC(N(CCCCCC)CCC1=CC=CC=C1)=O)C)(C)(C)C