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3'-ethyl-2-{[4-(p-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-yl]thio}-5',6',',8'-tetrahydro-5',',8',8'-tetramethyl-2'-acetonaphthone

View entire compound with spectra: 2 NMR

3'-ethyl-2-{[4-(p-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-yl]thio}-5',6',',8'-tetrahydro-5',',8',8'-tetramethyl-2'-acetonaphthone
SpectraBase Compound ID JQcFRjL8DWp
InChI InChI=1S/C36H43N3O5S/c1-10-22-17-27-28(36(4,5)16-15-35(27,2)3)20-26(22)29(40)21-45-34-38-37-33(39(34)24-11-13-25(41-6)14-12-24)23-18-30(42-7)32(44-9)31(19-23)43-8/h11-14,17-20H,10,15-16,21H2,1-9H3
InChIKey LQUHGEGUQDINDY-UHFFFAOYSA-N
Mol Weight 629.8 g/mol
Molecular Formula C36H43N3O5S
Exact Mass 629.292343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFgnN2Giy3I
Name 3'-Ethyl-2-{[4-(p-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-yl]thio}-5',6',',8'-tetrahydro-5',',8',8'-tetramethyl-2'-acetonaphthone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 629.292342666 u
Formula C36H43N3O5S
InChI InChI=1S/C36H43N3O5S/c1-10-22-17-27-28(36(4,5)16-15-35(27,2)3)20-26(22)29(40)21-45-34-38-37-33(39(34)24-11-13-25(41-6)14-12-24)23-18-30(42-7)32(44-9)31(19-23)43-8/h11-14,17-20H,10,15-16,21H2,1-9H3
InChIKey LQUHGEGUQDINDY-UHFFFAOYSA-N
Molecular Weight 629.816 g/mol
SMILES C=12C(CCC(C1C=C(C(=C2)C(CSC1=NN=C(N1C=1C=CC(=CC1)OC)C=1C=C(C(=C(C1)OC)OC)OC)=O)CC)(C)C)(C)C