3-{[2.2]Paracyclophan-4-yl}sulfanylpropionic Acid Methyl Ester

SpectraBase Compound ID	CjuFGAnvYYk
InChI	InChI=1S/C20H22O2S/c1-22-20(21)12-13-23-19-14-17-7-6-15-2-4-16(5-3-15)8-10-18(19)11-9-17/h2-5,9,11,14H,6-8,10,12-13H2,1H3
InChIKey	PMWKINJMGPHXMH-UHFFFAOYSA-N Google Search
Mol Weight	326.45 g/mol
Molecular Formula	C20H22O2S
Exact Mass	326.134051 g/mol

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SpectraBase Spectrum ID	9S5sxnVbQM2
Name	3-{[2.2]Paracyclophan-4-yl}sulfanylpropionic Acid Methyl Ester
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H22O2S
InChI	InChI=1S/C20H22O2S/c1-22-20(21)12-13-23-19-14-17-7-6-15-2-4-16(5-3-15)8-10-18(19)11-9-17/h2-5,9,11,14H,6-8,10,12-13H2,1H3
InChIKey	PMWKINJMGPHXMH-UHFFFAOYSA-N
Literature Reference DOI	10.1021/ol800161m
Molecular Weight	326.454 g/mol
SMILES	c1c2CCc3cc(c(CCc(cc2)c1)cc3)SCCC(OC)=O
SPLASH	splash10-01t9-2869000000-dac2f686486fd2051fe1
Source of Spectrum	A1-10-1271/SMS4-4
Wiley ID	1759286