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4-[(1,1,4,4,7-pentamethyltetralin-6-yl)thio]benzoic acid ethyl ester
SpectraBase Compound ID D0zaptCLOmO
InChI InChI=1S/C24H30O2S/c1-7-26-22(25)17-8-10-18(11-9-17)27-21-15-20-19(14-16(21)2)23(3,4)12-13-24(20,5)6/h8-11,14-15H,7,12-13H2,1-6H3
InChIKey CIFWAUAJKXRKQV-UHFFFAOYSA-N
Mol Weight 382.56 g/mol
Molecular Formula C24H30O2S
Exact Mass 382.196651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hXzTobhdPr
Name 4-[(1,1,4,4,7-pentamethyltetralin-6-yl)thio]benzoic acid ethyl ester
Alternate Name(s) 4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)thio]benzoic acid ethyl ester Ethyl 4-(1,1,4,4,7-pentamethyltetralin-6-yl)sulfanylbenzoate Ethyl 4-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O2S
InChI InChI=1S/C24H30O2S/c1-7-26-22(25)17-8-10-18(11-9-17)27-21-15-20-19(14-16(21)2)23(3,4)12-13-24(20,5)6/h8-11,14-15H,7,12-13H2,1-6H3
InChIKey CIFWAUAJKXRKQV-UHFFFAOYSA-N
Molecular Weight 382.562 g/mol
SMILES C(c1ccc(cc1)Sc1cc2c(cc1C)C(CCC2(C)C)(C)C)(=O)OCC
SPLASH splash10-00yi-0609000000-edc06fdc19c3803539cc
Source of Spectrum E1-39-3561-12
Wiley ID 1598960