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tert-Butyl 2-{1-[chloro(p-tolylsulfinyl)methyl]cyclodecyl}hexanoate
SpectraBase Compound ID DBu3crIf8fR
InChI InChI=1S/C28H45ClO3S/c1-6-7-15-24(25(30)32-27(3,4)5)28(20-13-11-9-8-10-12-14-21-28)26(29)33(31)23-18-16-22(2)17-19-23/h16-19,24,26H,6-15,20-21H2,1-5H3
InChIKey SFQAECLONDHYEB-UHFFFAOYSA-N
Mol Weight 497.2 g/mol
Molecular Formula C28H45ClO3S
Exact Mass 496.277794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IB4H3jzzR1a
Name tert-Butyl 2-{1-[chloro(p-tolylsulfinyl)methyl]cyclodecyl}hexanoate
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Formula C28H45ClO3S
InChI InChI=1S/C28H45ClO3S/c1-6-7-15-24(25(30)32-27(3,4)5)28(20-13-11-9-8-10-12-14-21-28)26(29)33(31)23-18-16-22(2)17-19-23/h16-19,24,26H,6-15,20-21H2,1-5H3
InChIKey SFQAECLONDHYEB-UHFFFAOYSA-N
Molecular Weight 497.178 g/mol
SMILES C(C1(C(C(OC(C)(C)C)=O)CCCC)CCCCCCCCC1)(S(c1ccc(cc1)C)=O)Cl
SPLASH splash10-05mo-6971000000-5cdd02c5b56197b02e27
Source of Spectrum F-59-4332-8b
Wiley ID 1712235