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Benzoic acid (1S,6S)-2-(2-bromo-ethyl)-6-(tert-butyl-dimethyl-silanyloxy)-cyclohex-2-enyl ester
SpectraBase Compound ID AtaHEpwLs0y
InChI InChI=1S/C21H31BrO3Si/c1-21(2,3)26(4,5)25-18-13-9-12-16(14-15-22)19(18)24-20(23)17-10-7-6-8-11-17/h6-8,10-12,18-19H,9,13-15H2,1-5H3/t18-,19-/m0/s1
InChIKey BRCPJFOWTPMJCQ-OALUTQOASA-N
Mol Weight 439.47 g/mol
Molecular Formula C21H31BrO3Si
Exact Mass 438.122584 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RjNFwfiyOy
Name Benzoic acid (1S,6S)-2-(2-bromo-ethyl)-6-(tert-butyl-dimethyl-silanyloxy)-cyclohex-2-enyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C21H31BrO3Si
InChI InChI=1S/C21H31BrO3Si/c1-21(2,3)26(4,5)25-18-13-9-12-16(14-15-22)19(18)24-20(23)17-10-7-6-8-11-17/h6-8,10-12,18-19H,9,13-15H2,1-5H3/t18-,19-/m0/s1
InChIKey BRCPJFOWTPMJCQ-OALUTQOASA-N
Molecular Weight 439.465 g/mol
SMILES [C@]1(OC(=O)c2ccccc2)([C@@](O[Si](C(C)(C)C)(C)C)(CCC=C1CCBr)[H])[H]
SPLASH splash10-0a4i-0009200000-f954cfcb833bbc019376
Source of Spectrum SO-0-675-51
Synonyms (3S,4S)-3-Benzoyloxy-4-tert-butyldimethylsilyloxy-2-(bromoethyl)cyclohexene
Wiley ID 875428