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2-(4-Bromophenyl)-2-oxoethyl 4-[(1-hydroxycyclohexyl)ethynyl]benzoate
SpectraBase Compound ID CtWuTKiXvGg
InChI InChI=1S/C23H21BrO4/c24-20-10-8-18(9-11-20)21(25)16-28-22(26)19-6-4-17(5-7-19)12-15-23(27)13-2-1-3-14-23/h4-11,27H,1-3,13-14,16H2
InChIKey MSTIFNHXQYWWQQ-UHFFFAOYSA-N
Mol Weight 441.32 g/mol
Molecular Formula C23H21BrO4
Exact Mass 440.062322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BV4UH00sYKf
Name 2-(4-Bromophenyl)-2-oxoethyl 4-[(1-hydroxycyclohexyl)ethynyl]benzoate
Alternate Name(s) 4-[2-(1-hydroxycyclohexyl)ethynyl]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester [2-(4-bromophenyl)-2-oxoethyl] 4-[2-(1-hydroxycyclohexyl)ethynyl]benzoate [2-(4-bromophenyl)-2-oxo-ethyl] 4-[2-(1-hydroxycyclohexyl)ethynyl]benzoate [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[2-(1-oxidanylcyclohexyl)ethynyl]benzoate
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Formula C23H21BrO4
InChI InChI=1S/C23H21BrO4/c24-20-10-8-18(9-11-20)21(25)16-28-22(26)19-6-4-17(5-7-19)12-15-23(27)13-2-1-3-14-23/h4-11,27H,1-3,13-14,16H2
InChIKey MSTIFNHXQYWWQQ-UHFFFAOYSA-N
Molecular Weight 441.321 g/mol
SMILES OC1(C#Cc2ccc(C(OCC(c3ccc(cc3)Br)=O)=O)cc2)CCCCC1
SPLASH splash10-056d-2930000000-93c386b28bd54e6d2353
Wiley ID 1454783