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N-Hexyl-3-(4',4'-dimethyl-2',6'-dioxocyclooctyl)propanamide
SpectraBase Compound ID Gf2Ao0k3E7c
InChI InChI=1S/C19H33NO3/c1-4-5-6-7-12-20-18(23)11-9-15-8-10-16(21)13-19(2,3)14-17(15)22/h15H,4-14H2,1-3H3,(H,20,23)
InChIKey RLRFNQYOZJVHTR-UHFFFAOYSA-N
Mol Weight 323.5 g/mol
Molecular Formula C19H33NO3
Exact Mass 323.246044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BOTn7vn3FDp
Name N-Hexyl-3-(4',4'-dimethyl-2',6'-dioxocyclooctyl)propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.246043924 u
Formula C19H33NO3
InChI InChI=1S/C19H33NO3/c1-4-5-6-7-12-20-18(23)11-9-15-8-10-16(21)13-19(2,3)14-17(15)22/h15H,4-14H2,1-3H3,(H,20,23)
InChIKey RLRFNQYOZJVHTR-UHFFFAOYSA-N
Molecular Weight 323.477 g/mol
SMILES C1(CC(CC(CCC1CCC(=O)NCCCCCC)=O)(C)C)=O