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Glutaric acid, monoamide, N-butyl-N-phenyl-, dodecyl ester

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Glutaric acid, monoamide, N-butyl-N-phenyl-, dodecyl ester
SpectraBase Compound ID HLLKl3SOa9w
InChI InChI=1S/C27H45NO3/c1-3-5-7-8-9-10-11-12-13-17-24-31-27(30)22-18-21-26(29)28(23-6-4-2)25-19-15-14-16-20-25/h14-16,19-20H,3-13,17-18,21-24H2,1-2H3
InChIKey UGHITWJRKCFUQD-UHFFFAOYSA-N
Mol Weight 431.7 g/mol
Molecular Formula C27H45NO3
Exact Mass 431.339944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9IeLscvuEOz
Name Glutaric acid, monoamide, N-butyl-N-phenyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 431.339944310 u
Formula C27H45NO3
InChI InChI=1S/C27H45NO3/c1-3-5-7-8-9-10-11-12-13-17-24-31-27(30)22-18-21-26(29)28(23-6-4-2)25-19-15-14-16-20-25/h14-16,19-20H,3-13,17-18,21-24H2,1-2H3
InChIKey UGHITWJRKCFUQD-UHFFFAOYSA-N
Molecular Weight 431.661 g/mol
SMILES CCCCN(C(CCCC(OCCCCCCCCCCCC)=O)=O)C1=CC=CC=C1