anti-9-Methyl-18-pentadecyl-2,11-thia[3.3]metacyclophane

SpectraBase Compound ID	GK07OPPVpxm
InChI	InChI=1S/C32H48S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-32-30-20-17-21-31(32)26-34-24-29-19-16-18-28(27(29)2)23-33-25-30/h16-21H,3-15,22-26H2,1-2H3
InChIKey	NIVYVZCYYQTBLW-UHFFFAOYSA-N Google Search
Mol Weight	496.9 g/mol
Molecular Formula	C32H48S2
Exact Mass	496.319744 g/mol

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SpectraBase Spectrum ID	EOh916GTJWS
Name	anti-9-Methyl-18-pentadecyl-2,11-thia[3.3]metacyclophane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H48S2
InChI	InChI=1S/C32H48S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-32-30-20-17-21-31(32)26-34-24-29-19-16-18-28(27(29)2)23-33-25-30/h16-21H,3-15,22-26H2,1-2H3
InChIKey	NIVYVZCYYQTBLW-UHFFFAOYSA-N
Molecular Weight	496.856 g/mol
SMILES	c1(c2CSCc3cccc(c3CCCCCCCCCCCCCCC)CSCc1ccc2)C
SPLASH	splash10-0002-0429300000-1d78aaa9545523d790ce
Source of Spectrum	J-62-931-24
Synonyms	17-Methyl-18-pentadecyl-3,11-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),5(18),6,8,13,15-hexaene
Wiley ID	1398332