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tert-Butyl 2-{1-[chloro(p-tolylsulfinyl)methyl]cyclodecyl}propionate
SpectraBase Compound ID 92A0DaoBQPk
InChI InChI=1S/C25H39ClO3S/c1-19-13-15-21(16-14-19)30(28)23(26)25(20(2)22(27)29-24(3,4)5)17-11-9-7-6-8-10-12-18-25/h13-16,20,23H,6-12,17-18H2,1-5H3
InChIKey GCVKKFLTCHOWEW-UHFFFAOYSA-N
Mol Weight 455.1 g/mol
Molecular Formula C25H39ClO3S
Exact Mass 454.230844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MHYSFE67Oq
Name tert-Butyl 2-{1-[chloro(p-tolylsulfinyl)methyl]cyclodecyl}propionate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39ClO3S
InChI InChI=1S/C25H39ClO3S/c1-19-13-15-21(16-14-19)30(28)23(26)25(20(2)22(27)29-24(3,4)5)17-11-9-7-6-8-10-12-18-25/h13-16,20,23H,6-12,17-18H2,1-5H3
InChIKey GCVKKFLTCHOWEW-UHFFFAOYSA-N
Molecular Weight 455.097 g/mol
SMILES C(C1(C(C(OC(C)(C)C)=O)C)CCCCCCCCC1)(S(c1ccc(cc1)C)=O)Cl
SPLASH splash10-0596-9860000000-28862944b4d86bc4b9b7
Source of Spectrum F-59-4332-8a
Wiley ID 1678091