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(-)-tert-Butyl 3-[chloro(p-tolylsulfinyl)methyl]-3-methyl-5-phenylpentanoate
SpectraBase Compound ID 7b0ul95EYA
InChI InChI=1S/C24H31ClO3S/c1-18-11-13-20(14-12-18)29(27)22(25)24(5,17-21(26)28-23(2,3)4)16-15-19-9-7-6-8-10-19/h6-14,22H,15-17H2,1-5H3
InChIKey WUIRZXCCDYSNEJ-UHFFFAOYSA-N
Mol Weight 435.02 g/mol
Molecular Formula C24H31ClO3S
Exact Mass 434.168244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MHD7L0xGUq
Name (-)-tert-Butyl 3-[chloro(p-tolylsulfinyl)methyl]-3-methyl-5-phenylpentanoate
Alternate Name(s) tert-Butyl 3-{chloro[(4-methylphenyl)sulfinyl]methyl}-3-methyl-5-phenylpentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31ClO3S
InChI InChI=1S/C24H31ClO3S/c1-18-11-13-20(14-12-18)29(27)22(25)24(5,17-21(26)28-23(2,3)4)16-15-19-9-7-6-8-10-19/h6-14,22H,15-17H2,1-5H3
InChIKey WUIRZXCCDYSNEJ-UHFFFAOYSA-N
Molecular Weight 435.022 g/mol
SMILES C(CC(CCc1ccccc1)(C)C(S(=O)c1ccc(cc1)C)Cl)(=O)OC(C)(C)C
SPLASH splash10-0006-6911000000-03c7077fa9e210e3bea5
Source of Spectrum KD-16-671-10
Wiley ID 1637423