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2,6-Di-tert-butyl-4-[1-(4-dimethylaminophenyl)-2-phenyl-2-(toluene-4-sulfonyl)ethyl]phenol isomer
SpectraBase Compound ID H7Tbzn80uzN
InChI InChI=1S/C37H45NO3S/c1-25-15-21-30(22-16-25)42(40,41)35(27-13-11-10-12-14-27)33(26-17-19-29(20-18-26)38(8)9)28-23-31(36(2,3)4)34(39)32(24-28)37(5,6)7/h10-24,33,35,39H,1-9H3
InChIKey FMBGMGSWBBTZHJ-UHFFFAOYSA-N
Mol Weight 583.8 g/mol
Molecular Formula C37H45NO3S
Exact Mass 583.312015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jq3Om9mQwX
Name 2,6-Di-tert-butyl-4-[1-(4-dimethylaminophenyl)-2-phenyl-2-(toluene-4-sulfonyl)ethyl]phenol isomer
Alternate Name(s) 2,6-Di-tert-butyl-4-[1-(4-dimethylaminophenyl)-2-phenyl-2-(toluene-4-sulfonyl)ethyl]phenol 2,6-Ditert-butyl-4-{1-[4-(dimethylamino)phenyl]-2-[(4-methylphenyl)sulfonyl]-2-phenylethyl}phenol
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Formula C37H45NO3S
InChI InChI=1S/C37H45NO3S/c1-25-15-21-30(22-16-25)42(40,41)35(27-13-11-10-12-14-27)33(26-17-19-29(20-18-26)38(8)9)28-23-31(36(2,3)4)34(39)32(24-28)37(5,6)7/h10-24,33,35,39H,1-9H3
InChIKey FMBGMGSWBBTZHJ-UHFFFAOYSA-N
Molecular Weight 583.831 g/mol
SMILES Oc1c(cc(C(C(S(c2ccc(cc2)C)(=O)=O)c2ccccc2)c2ccc(cc2)N(C)C)cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-000i-0009000000-61caf4feadedf91530cf
Source of Spectrum F-62-2628-3
Wiley ID 1632613