7-[(R)-(tolylsulfinyl)]-1,6-heptanediol

SpectraBase Compound ID	4Xy3HwzJVGa
InChI	InChI=1S/C14H22O3S/c1-12-6-8-14(9-7-12)18(17)11-13(16)5-3-2-4-10-15/h6-9,13,15-16H,2-5,10-11H2,1H3
InChIKey	MSYFKMBIJUUWDG-UHFFFAOYSA-N Google Search
Mol Weight	270.39 g/mol
Molecular Formula	C14H22O3S
Exact Mass	270.128966 g/mol

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SpectraBase Spectrum ID	P3xuJkP7Um
Name	7-[(R)-(tolylsulfinyl)]-1,6-heptanediol
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H22O3S
InChI	InChI=1S/C14H22O3S/c1-12-6-8-14(9-7-12)18(17)11-13(16)5-3-2-4-10-15/h6-9,13,15-16H,2-5,10-11H2,1H3
InChIKey	MSYFKMBIJUUWDG-UHFFFAOYSA-N
Molecular Weight	270.387 g/mol
SMILES	OC(CCCCCO)C[S@](c1ccc(cc1)C)=O
SPLASH	splash10-0006-0900000000-641cb09f125dc9b94dc0
Source of Spectrum	F-56-7935-19
Synonyms	7-[(4-methylphenyl)sulfinyl]-1,6-heptanediol
Wiley ID	858735