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Benzamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2,5-dihydroxy-
SpectraBase Compound ID 1fsHLF5XRzN
InChI InChI=1S/C27H39NO4/c1-7-26(3,4)19-11-14-24(22(17-19)27(5,6)8-2)32-16-10-9-15-28-25(31)21-18-20(29)12-13-23(21)30/h11-14,17-18,29-30H,7-10,15-16H2,1-6H3,(H,28,31)
InChIKey XZAIMOSTHYCYBW-UHFFFAOYSA-N
Mol Weight 441.6 g/mol
Molecular Formula C27H39NO4
Exact Mass 441.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8vy9ceLMoG
Name Benzamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2,5-dihydroxy-
Comments Computed using HOSE algorithm
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Exact Mass 441.287908736 u
Formula C27H39NO4
InChI InChI=1S/C27H39NO4/c1-7-26(3,4)19-11-14-24(22(17-19)27(5,6)8-2)32-16-10-9-15-28-25(31)21-18-20(29)12-13-23(21)30/h11-14,17-18,29-30H,7-10,15-16H2,1-6H3,(H,28,31)
InChIKey XZAIMOSTHYCYBW-UHFFFAOYSA-N
Molecular Weight 441.612 g/mol
SMILES CCC(C)(C)C1=CC=C(OCCCCNC(=O)C2=CC(O)=CC=C2O)C(=C1)C(C)(C)CC