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Methyl 5-oxo-3-(thien-2'-yl)-2-(camphorylseleno)hexanoate
SpectraBase Compound ID DgTuFIqt2Og
InChI InChI=1S/C21H28O4SSe/c1-12(22)11-13(15-7-6-10-26-15)16(19(24)25-5)27-17-14-8-9-21(4,18(17)23)20(14,2)3/h6-7,10,13-14,16-17H,8-9,11H2,1-5H3/t13?,14-,16?,17?,21+/m0/s1
InChIKey ZYCTZJZDAXRMLY-IEKUEONKSA-N
Mol Weight 455.48 g/mol
Molecular Formula C21H28O4SSe
Exact Mass 456.087353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HG3nzIvTXg
Name Methyl 5-oxo-3-(thien-2'-yl)-2-(camphorylseleno)hexanoate
Alternate Name(s) Methyl 5-oxo-3-(2-thienyl)-2-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-2-yl)selanyl]hexanoate
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Formula C21H28O4SSe
InChI InChI=1S/C21H28O4SSe/c1-12(22)11-13(15-7-6-10-26-15)16(19(24)25-5)27-17-14-8-9-21(4,18(17)23)20(14,2)3/h6-7,10,13-14,16-17H,8-9,11H2,1-5H3/t13?,14-,16?,17?,21+/m0/s1
InChIKey ZYCTZJZDAXRMLY-IEKUEONKSA-N
Molecular Weight 455.483 g/mol
SMILES [C@]12(C(C([Se]C(C(c3sccc3)CC(=O)C)C(=O)OC)[C@@](C1(C)C)(CC2)[H])=O)C
SPLASH splash10-002f-0950000000-1c9e05361b7151c333ed
Source of Spectrum H-2005-548-3
Wiley ID 1562190