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(-)-tert-Butyl 3-[chloro(p-tolylsulfinyl)methyl]-5-phenylpentanoate
SpectraBase Compound ID GdEteB2cysx
InChI InChI=1S/C23H29ClO3S/c1-17-10-14-20(15-11-17)28(26)22(24)19(16-21(25)27-23(2,3)4)13-12-18-8-6-5-7-9-18/h5-11,14-15,19,22H,12-13,16H2,1-4H3
InChIKey FSHLWCNYZFOAEJ-UHFFFAOYSA-N
Mol Weight 421.0 g/mol
Molecular Formula C23H29ClO3S
Exact Mass 420.152594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0ptHleh6bS
Name (-)-tert-Butyl 3-[chloro(p-tolylsulfinyl)methyl]-5-phenylpentanoate
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Formula C23H29ClO3S
InChI InChI=1S/C23H29ClO3S/c1-17-10-14-20(15-11-17)28(26)22(24)19(16-21(25)27-23(2,3)4)13-12-18-8-6-5-7-9-18/h5-11,14-15,19,22H,12-13,16H2,1-4H3
InChIKey FSHLWCNYZFOAEJ-UHFFFAOYSA-N
Molecular Weight 420.995 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C(CC(OC(C)(C)C)=O)CCc1ccccc1)Cl
SPLASH splash10-0006-8900000000-bd3c18fa9336f8baa43f
Source of Spectrum F-59-4332-7g
Synonyms tert-Butyl 3-[chloro(p-tolylsulfinyl)methyl]-5-phenylpentanoate tert-Butyl 3-{chloro[(4-methylphenyl)sulfinyl]methyl}-5-phenylpentanoate
Wiley ID 1678093