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(3S,4R,5R)-5-(4-Chlorobenzoyloxy)-4-methyl-3-(phenylselanylmethyl)hexanoic acid
SpectraBase Compound ID H1kR8xww2YL
InChI InChI=1S/C21H23ClO4Se/c1-14(15(2)26-21(25)16-8-10-18(22)11-9-16)17(12-20(23)24)13-27-19-6-4-3-5-7-19/h3-11,14-15,17H,12-13H2,1-2H3,(H,23,24)/t14-,15+,17-/m0/s1
InChIKey JIQNFZNSSIBKEC-UXLLHSPISA-N
Mol Weight 453.84 g/mol
Molecular Formula C21H23ClO4Se
Exact Mass 454.045009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEnG9mOGq5v
Name (3S,4R,5R)-5-(4-Chlorobenzoyloxy)-4-methyl-3-(phenylselanylmethyl)hexanoic acid
Alternate Name(s) (3R,4R,5R)-5-[(4-chlorobenzoyl)oxy]-4-methyl-3-[(phenylselanyl)methyl]hexanoic acid (3R,4R,5R)-5-[(4-chlorophenyl)-oxomethoxy]-4-methyl-3-[(phenylseleno)methyl]hexanoic acid (3R,4R,5R)-5-(4-chlorobenzoyl)oxy-4-methyl-3-(phenylselanylmethyl)hexanoic acid (3R,4R,5R)-5-(4-chlorophenyl)carbonyloxy-4-methyl-3-(phenylselanylmethyl)hexanoic acid
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Formula C21H23ClO4Se
InChI InChI=1S/C21H23ClO4Se/c1-14(15(2)26-21(25)16-8-10-18(22)11-9-16)17(12-20(23)24)13-27-19-6-4-3-5-7-19/h3-11,14-15,17H,12-13H2,1-2H3,(H,23,24)/t14-,15+,17-/m0/s1
InChIKey JIQNFZNSSIBKEC-UXLLHSPISA-N
Molecular Weight 453.836 g/mol
SMILES OC(C[C@]([C@]([C@](OC(c1ccc(cc1)Cl)=O)(C)[H])(C)[H])(C[Se]c1ccccc1)[H])=O
SPLASH splash10-000i-0910000000-0f18169c9f0aff1c1169
Source of Spectrum KC-0-2367-25
Wiley ID 831417