anti-8-Methyl-16-pentadecyl-2,10-di(methylthia)[2.2]metacyclophane

SpectraBase Compound ID	87MubIlD9ks
InChI	InChI=1S/C34H52S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-29-21-19-24-32(31)34(36-4)25-28-20-18-23-30(27(28)2)33(26-29)35-3/h18-21,23-24,33-34H,5-17,22,25-26H2,1-4H3
InChIKey	WSQXWIYICLNJSQ-UHFFFAOYSA-N Google Search
Mol Weight	524.9 g/mol
Molecular Formula	C34H52S2
Exact Mass	524.351044 g/mol

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SpectraBase Spectrum ID	AcHi2n39wSA
Name	anti-8-Methyl-16-pentadecyl-2,10-di(methylthia)[2.2]metacyclophane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C34H52S2
InChI	InChI=1S/C34H52S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-29-21-19-24-32(31)34(36-4)25-28-20-18-23-30(27(28)2)33(26-29)35-3/h18-21,23-24,33-34H,5-17,22,25-26H2,1-4H3
InChIKey	WSQXWIYICLNJSQ-UHFFFAOYSA-N
Molecular Weight	524.910 g/mol
SMILES	c1(c2C(Cc3cccc(c3CCCCCCCCCCCCCCC)C(Cc1ccc2)SC)SC)C
SPLASH	splash10-0umi-0070690000-5a599ab1ffcc7a728334
Source of Spectrum	J-62-931-26
Wiley ID	1402638