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tert-Butyl 2-{1-[chloro(p-tolylsulfinyl)methyl]cyclopentadecyl}hexanoate
SpectraBase Compound ID AZw9o0sqljE
InChI InChI=1S/C33H55ClO3S/c1-6-7-20-29(30(35)37-32(3,4)5)33(31(34)38(36)28-23-21-27(2)22-24-28)25-18-16-14-12-10-8-9-11-13-15-17-19-26-33/h21-24,29,31H,6-20,25-26H2,1-5H3
InChIKey HPERKWPHVAPTPO-UHFFFAOYSA-N
Mol Weight 567.3 g/mol
Molecular Formula C33H55ClO3S
Exact Mass 566.356045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TnLljJS1w
Name tert-Butyl 2-{1-[chloro(p-tolylsulfinyl)methyl]cyclopentadecyl}hexanoate
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Formula C33H55ClO3S
InChI InChI=1S/C33H55ClO3S/c1-6-7-20-29(30(35)37-32(3,4)5)33(31(34)38(36)28-23-21-27(2)22-24-28)25-18-16-14-12-10-8-9-11-13-15-17-19-26-33/h21-24,29,31H,6-20,25-26H2,1-5H3
InChIKey HPERKWPHVAPTPO-UHFFFAOYSA-N
Molecular Weight 567.313 g/mol
SMILES C(C1(C(C(OC(C)(C)C)=O)CCCC)CCCCCCCCCCCCCC1)(S(c1ccc(cc1)C)=O)Cl
SPLASH splash10-05n3-5589100000-40e6cb27c264b1095699
Source of Spectrum F-59-4332-8d
Wiley ID 1712234