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1'-[4"-(t-Butyl)cyclohexyl]-2'-oxo-2'-phenylethyl 4-methylbenzene-1-sulfonate
SpectraBase Compound ID 1HGE8fp3Yrx
InChI InChI=1S/C25H32O4S/c1-18-10-16-22(17-11-18)30(27,28)29-24(23(26)19-8-6-5-7-9-19)20-12-14-21(15-13-20)25(2,3)4/h5-11,16-17,20-21,24H,12-15H2,1-4H3
InChIKey IBMOCBZUXDPIHF-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C25H32O4S
Exact Mass 428.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nbVVYaPZfw
Name 1'-[4"-(t-Butyl)cyclohexyl]-2'-oxo-2'-phenylethyl 4-methylbenzene-1-sulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C25H32O4S
InChI InChI=1S/C25H32O4S/c1-18-10-16-22(17-11-18)30(27,28)29-24(23(26)19-8-6-5-7-9-19)20-12-14-21(15-13-20)25(2,3)4/h5-11,16-17,20-21,24H,12-15H2,1-4H3
InChIKey IBMOCBZUXDPIHF-UHFFFAOYSA-N
Molecular Weight 428.587 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(C(=O)c1ccccc1)C1CCC(C(C)(C)C)CC1
SPLASH splash10-0a4i-0900000000-73dce96071728b392b6c
Source of Spectrum H-86-887-3
Synonyms 1-(4-tert-butylcyclohexyl)-2-oxo-2-phenylethyl 4-methylbenzenesulfonate
Wiley ID 1525421