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tert-Butyl (1.xi.,2.xi.,3R,5S)-2-Benzyloxy-3,5-di[bis(ethylthio)methyl]cyclopentanecarboxylate
SpectraBase Compound ID 9kWb6SsQ7cW
InChI InChI=1S/C27H44O3S4/c1-8-31-25(32-9-2)20-17-21(26(33-10-3)34-11-4)23(22(20)24(28)30-27(5,6)7)29-18-19-15-13-12-14-16-19/h12-16,20-23,25-26H,8-11,17-18H2,1-7H3/t20-,21+,22?,23?/m0/s1
InChIKey WPDUTRZTRBBKSK-SCUZDCGXSA-N
Mol Weight 544.9 g/mol
Molecular Formula C27H44O3S4
Exact Mass 544.21733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ah1SMqsZMEd
Name tert-Butyl (1.xi.,2.xi.,3R,5S)-2-Benzyloxy-3,5-di[bis(ethylthio)methyl]cyclopentanecarboxylate
Alternate Name(s) tert-Butyl (1.xi.,2.xi.,3R,4S)-2-Benzyloxy-3,5-di[bis(ethylthio)methyl]cyclopentanecarboxylate tert-Butyl (3R,5S)-2-(benzyloxy)-3,5-bis[bis(ethylsulfanyl)methyl]cyclopentanecarboxylate
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Formula C27H44O3S4
InChI InChI=1S/C27H44O3S4/c1-8-31-25(32-9-2)20-17-21(26(33-10-3)34-11-4)23(22(20)24(28)30-27(5,6)7)29-18-19-15-13-12-14-16-19/h12-16,20-23,25-26H,8-11,17-18H2,1-7H3/t20-,21+,22?,23?/m0/s1
InChIKey WPDUTRZTRBBKSK-SCUZDCGXSA-N
Molecular Weight 544.886 g/mol
SMILES C1(C([C@](C(SCC)SCC)(C[C@@]1(C(SCC)SCC)[H])[H])OCc1ccccc1)C(OC(C)(C)C)=O
SPLASH splash10-0k96-9312100000-4a41de0e793a18ba2c18
Source of Spectrum E1-42-859-18
Wiley ID 1552563