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2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)benzoic acid diisopropylamide
SpectraBase Compound ID 8D9FbaLkTvp
InChI InChI=1S/C31H39NO/c1-20(2)32(21(3)4)29(33)26-12-10-9-11-25(26)23-14-13-22-18-27-28(19-24(22)17-23)31(7,8)16-15-30(27,5)6/h9-14,17-21H,15-16H2,1-8H3
InChIKey TYQBGOLDFBFRAL-UHFFFAOYSA-N
Mol Weight 441.7 g/mol
Molecular Formula C31H39NO
Exact Mass 441.303165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2dzuEphIgRv
Name 2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)benzoic acid diisopropylamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.303164879 u
Formula C31H39NO
InChI InChI=1S/C31H39NO/c1-20(2)32(21(3)4)29(33)26-12-10-9-11-25(26)23-14-13-22-18-27-28(19-24(22)17-23)31(7,8)16-15-30(27,5)6/h9-14,17-21H,15-16H2,1-8H3
InChIKey TYQBGOLDFBFRAL-UHFFFAOYSA-N
Molecular Weight 441.659 g/mol
SMILES C(C=1C(C=2C=C3C=C4C(CCC(C4=CC3=CC2)(C)C)(C)C)=CC=CC1)(N(C(C)C)C(C)C)=O