tert-Butyl 3-[chloro(p-tolylsulfinyl)methyl]-3-methylheptanoate

SpectraBase Compound ID	CH25nflv57G
InChI	InChI=1S/C20H31ClO3S/c1-7-8-13-20(6,14-17(22)24-19(3,4)5)18(21)25(23)16-11-9-15(2)10-12-16/h9-12,18H,7-8,13-14H2,1-6H3
InChIKey	PFRBLEMQMDOHTR-UHFFFAOYSA-N Google Search
Mol Weight	386.98 g/mol
Molecular Formula	C20H31ClO3S
Exact Mass	386.168244 g/mol

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SpectraBase Spectrum ID	1aXzT6GuNuy
Name	tert-Butyl 3-[chloro(p-tolylsulfinyl)methyl]-3-methylheptanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H31ClO3S
InChI	InChI=1S/C20H31ClO3S/c1-7-8-13-20(6,14-17(22)24-19(3,4)5)18(21)25(23)16-11-9-15(2)10-12-16/h9-12,18H,7-8,13-14H2,1-6H3
InChIKey	PFRBLEMQMDOHTR-UHFFFAOYSA-N
Molecular Weight	386.978 g/mol
SMILES	C(S(c1ccc(cc1)C)=O)(C(CC(OC(C)(C)C)=O)(CCCC)C)Cl
SPLASH	splash10-0006-2901000000-5b0b4ccc14f74acc1bd2
Source of Spectrum	F-59-4332-7f
Wiley ID	1678094