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

View entire compound with spectra: 1 MS (GC)

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
Mol Weight 475.44 g/mol
Molecular Formula C24H27BrO3S
Exact Mass 474.086429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYSFexdTSIa
Name 3-[2'-(2"-Bromophenyl)-4',5'-dimethyl-1',4'-cyclohexadien-1'-yl]propyl 4-methylbenzenesulfonate
Alternate Name(s) 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
Wiley ID 1548237