3-[2'-(2"-Bromophenyl)-4',5'-dimethyl-1',4'-cyclohexadien-1'-yl]propyl 4-methylbenzenesulfonate

SpectraBase Compound ID	1yLCgaID2AI
InChI	InChI=1S/C24H27BrO3S/c1-17-10-12-21(13-11-17)29(26,27)28-14-6-7-20-15-18(2)19(3)16-23(20)22-8-4-5-9-24(22)25/h4-5,8-13H,6-7,14-16H2,1-3H3
InChIKey	DOHFEAMSOOFXRU-UHFFFAOYSA-N Google Search
Mol Weight	475.44 g/mol
Molecular Formula	C24H27BrO3S
Exact Mass	474.086429 g/mol

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SpectraBase Spectrum ID	CYSFexdTSIa
Name	3-[2'-(2"-Bromophenyl)-4',5'-dimethyl-1',4'-cyclohexadien-1'-yl]propyl 4-methylbenzenesulfonate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H27BrO3S
InChI	InChI=1S/C24H27BrO3S/c1-17-10-12-21(13-11-17)29(26,27)28-14-6-7-20-15-18(2)19(3)16-23(20)22-8-4-5-9-24(22)25/h4-5,8-13H,6-7,14-16H2,1-3H3
InChIKey	DOHFEAMSOOFXRU-UHFFFAOYSA-N
Molecular Weight	475.441 g/mol
SMILES	c1(S(=O)(=O)OCCCC2=C(CC(=C(C2)C)C)c2c(Br)cccc2)ccc(cc1)C
SPLASH	splash10-00di-9210000000-80d554bda04ee6bb77f0
Source of Spectrum	D1-2003-243-0
Synonyms	3-[2-(2-bromophenyl)-4,5-dimethyl-1,4-cyclohexadien-1-yl]propyl 4-methylbenzenesulfonate
Wiley ID	1548237