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3-Chloro-3-[(1'-cyclohexyl-4',5'-diphenyl-1H-imidazol-2'-yl)trisulfanyl]-2,2,4,4-tetramethylcyclobutanone
SpectraBase Compound ID 1nAPzoOK7Bf
InChI InChI=1S/C29H33ClN2OS3/c1-27(2)25(33)28(3,4)29(27,30)35-36-34-26-31-23(20-14-8-5-9-15-20)24(21-16-10-6-11-17-21)32(26)22-18-12-7-13-19-22/h5-6,8-11,14-17,22H,7,12-13,18-19H2,1-4H3
InChIKey IWSQYRLEJXLZRP-UHFFFAOYSA-N
Mol Weight 557.2 g/mol
Molecular Formula C29H33ClN2OS3
Exact Mass 556.144355 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1DC1Vyc1OE
Name 3-Chloro-3-[(1'-cyclohexyl-4',5'-diphenyl-1H-imidazol-2'-yl)trisulfanyl]-2,2,4,4-tetramethylcyclobutanone
Alternate Name(s) 3-chloro-3-[3-(1-cyclohexyl-4,5-diphenyl-1H-imidazol-2-yl)trisulfanyl]-2,2,4,4-tetramethylcyclobutanone
Comments Less than 3 mono-isotopic peaks
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Formula C29H33ClN2OS3
InChI InChI=1S/C29H33ClN2OS3/c1-27(2)25(33)28(3,4)29(27,30)35-36-34-26-31-23(20-14-8-5-9-15-20)24(21-16-10-6-11-17-21)32(26)22-18-12-7-13-19-22/h5-6,8-11,14-17,22H,7,12-13,18-19H2,1-4H3
InChIKey IWSQYRLEJXLZRP-UHFFFAOYSA-N
Molecular Weight 557.229 g/mol
SMILES c1(nc(-c2ccccc2)c([n]1C1CCCCC1)-c1ccccc1)SSSC1(C(C)(C)C(C1(C)C)=O)Cl
SPLASH splash10-001i-0009000000-215654e443680558647e
Source of Spectrum H-86-2280-17
Wiley ID 1525498