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6-[(1,1,4,4,7-pentamethyltetralin-6-yl)thio]nicotinic acid ethyl ester
SpectraBase Compound ID LKuypDHDkyp
InChI InChI=1S/C23H29NO2S/c1-7-26-21(25)16-8-9-20(24-14-16)27-19-13-18-17(12-15(19)2)22(3,4)10-11-23(18,5)6/h8-9,12-14H,7,10-11H2,1-6H3
InChIKey MZYNQFZRXMPFLP-UHFFFAOYSA-N
Mol Weight 383.55 g/mol
Molecular Formula C23H29NO2S
Exact Mass 383.1919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJscw2GjMp3
Name 6-[(1,1,4,4,7-pentamethyltetralin-6-yl)thio]nicotinic acid ethyl ester
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Formula C23H29NO2S
InChI InChI=1S/C23H29NO2S/c1-7-26-21(25)16-8-9-20(24-14-16)27-19-13-18-17(12-15(19)2)22(3,4)10-11-23(18,5)6/h8-9,12-14H,7,10-11H2,1-6H3
InChIKey MZYNQFZRXMPFLP-UHFFFAOYSA-N
Molecular Weight 383.550 g/mol
SMILES C(c1ccc(nc1)Sc1cc2c(cc1C)C(CCC2(C)C)(C)C)(=O)OCC
SPLASH splash10-0uxr-0009000000-dca1bdff8af2b322a617
Source of Spectrum E1-39-3562-14
Synonyms 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)thio]-3-pyridinecarboxylic acid ethyl ester Ethyl 6-(1,1,4,4,7-pentamethyltetralin-6-yl)sulfanylpyridine-3-carboxylate Ethyl 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylate
Wiley ID 1598954