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4-(1,1,4,4-tetramethyltetralin-6-yl)sulfanylbenzoic acid
SpectraBase Compound ID G0XJJiQuMGV
InChI InChI=1S/C21H24O2S/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
InChIKey VQSWHITYDQDEMN-UHFFFAOYSA-N
Mol Weight 340.48 g/mol
Molecular Formula C21H24O2S
Exact Mass 340.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzxcFQlxDYu
Name 4-(1,1,4,4-tetramethyltetralin-6-yl)sulfanylbenzoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C21H24O2S
InChI InChI=1S/C21H24O2S/c1-20(2)11-12-21(3,4)18-13-16(9-10-17(18)20)24-15-7-5-14(6-8-15)19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)
InChIKey VQSWHITYDQDEMN-UHFFFAOYSA-N
Molecular Weight 340.481 g/mol
SMILES OC(c1ccc(cc1)Sc1cc2c(cc1)C(CCC2(C)C)(C)C)=O
SPLASH splash10-004l-0009000000-ef8240cddc219397a796
Source of Spectrum E1-39-3561-1
Synonyms 4-[(1,1,4,4-tetramethyltetralin-6-yl)thio]benzoic acid 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]benzoic acid 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thio]benzoic acid
Wiley ID 1598961