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4-(1,1,4,4,7-pentamethyltetralin-6-yl)sulfanylbenzoic acid
SpectraBase Compound ID 4iQqK7ZQRh8
InChI InChI=1S/C22H26O2S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)25-16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
InChIKey MJSSDXRYTKYCRW-UHFFFAOYSA-N
Mol Weight 354.51 g/mol
Molecular Formula C22H26O2S
Exact Mass 354.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wGric2C3Da
Name 4-(1,1,4,4,7-pentamethyltetralin-6-yl)sulfanylbenzoic acid
Alternate Name(s) 4-[(1,1,4,4,7-pentamethyltetralin-6-yl)thio]benzoic acid 4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]benzoic acid 4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)thio]benzoic acid
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Formula C22H26O2S
InChI InChI=1S/C22H26O2S/c1-14-12-17-18(22(4,5)11-10-21(17,2)3)13-19(14)25-16-8-6-15(7-9-16)20(23)24/h6-9,12-13H,10-11H2,1-5H3,(H,23,24)
InChIKey MJSSDXRYTKYCRW-UHFFFAOYSA-N
Molecular Weight 354.508 g/mol
SMILES OC(c1ccc(cc1)Sc1cc2c(cc1C)C(CCC2(C)C)(C)C)=O
SPLASH splash10-00dr-0609000000-8c47991b009a15144e4c
Source of Spectrum E1-39-3561-2
Wiley ID 1598959