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tert-Butyl 2-{1-[chloro(p-tolylsulfinyl)methyl]-3-phenylpropyl}hexanoate
SpectraBase Compound ID CfdIIdJWgYd
InChI InChI=1S/C27H37ClO3S/c1-6-7-13-24(26(29)31-27(3,4)5)23(19-16-21-11-9-8-10-12-21)25(28)32(30)22-17-14-20(2)15-18-22/h8-12,14-15,17-18,23-25H,6-7,13,16,19H2,1-5H3
InChIKey DTAYYWNLGSWRSQ-UHFFFAOYSA-N
Mol Weight 477.1 g/mol
Molecular Formula C27H37ClO3S
Exact Mass 476.215194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8iuqYkFIXd
Name tert-Butyl 2-{1-[chloro(p-tolylsulfinyl)methyl]-3-phenylpropyl}hexanoate
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Formula C27H37ClO3S
InChI InChI=1S/C27H37ClO3S/c1-6-7-13-24(26(29)31-27(3,4)5)23(19-16-21-11-9-8-10-12-21)25(28)32(30)22-17-14-20(2)15-18-22/h8-12,14-15,17-18,23-25H,6-7,13,16,19H2,1-5H3
InChIKey DTAYYWNLGSWRSQ-UHFFFAOYSA-N
Molecular Weight 477.103 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C(C(C(OC(C)(C)C)=O)CCCC)CCc1ccccc1)Cl
SPLASH splash10-052f-8920000000-78b9e324368adc0c7c01
Source of Spectrum F-59-4332-8f
Wiley ID 1678088