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(4R,5R)-4-benzoxy-5-hydroxy-suberic acid ditert-butyl ester
SpectraBase Compound ID DuynlI1E7Dv
InChI InChI=1S/C23H36O6/c1-22(2,3)28-20(25)14-12-18(24)19(13-15-21(26)29-23(4,5)6)27-16-17-10-8-7-9-11-17/h7-11,18-19,24H,12-16H2,1-6H3/t18-,19-/m1/s1
InChIKey XZCLDVFYTQUBJW-RTBURBONSA-N
Mol Weight 408.5 g/mol
Molecular Formula C23H36O6
Exact Mass 408.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UnWaGVPAe
Name (4R,5R)-4-benzoxy-5-hydroxy-suberic acid ditert-butyl ester
Alternate Name(s) (4R,5R)-4-hydroxy-5-phenylmethoxyoctanedioic acid ditert-butyl ester ditert-butyl (4R,5R)-4-hydroxy-5-phenylmethoxyoctanedioate ditert-butyl (4R,5R)-4-oxidanyl-5-phenylmethoxy-octanedioate
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Formula C23H36O6
InChI InChI=1S/C23H36O6/c1-22(2,3)28-20(25)14-12-18(24)19(13-15-21(26)29-23(4,5)6)27-16-17-10-8-7-9-11-17/h7-11,18-19,24H,12-16H2,1-6H3/t18-,19-/m1/s1
InChIKey XZCLDVFYTQUBJW-RTBURBONSA-N
Molecular Weight 408.535 g/mol
SMILES O[C@](CCC(OC(C)(C)C)=O)([C@](OCc1ccccc1)(CCC(OC(C)(C)C)=O)[H])[H]
SPLASH splash10-0006-9820000000-07008357a7e018f6ac8a
Source of Spectrum J-57-5038-3
Wiley ID 1372993