anti-9-Methyl-2,11-dithia-18-undecyl[3.3]metacyclophane

SpectraBase Compound ID	AvyuXRhSbbZ
InChI	InChI=1S/C28H40S2/c1-3-4-5-6-7-8-9-10-11-18-28-26-16-13-17-27(28)22-30-20-25-15-12-14-24(23(25)2)19-29-21-26/h12-17H,3-11,18-22H2,1-2H3
InChIKey	NFYUIVYIVNGOGC-UHFFFAOYSA-N Google Search
Mol Weight	440.7 g/mol
Molecular Formula	C28H40S2
Exact Mass	440.257144 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	659Zy46brgQ
Name	anti-9-Methyl-2,11-dithia-18-undecyl[3.3]metacyclophane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H40S2
InChI	InChI=1S/C28H40S2/c1-3-4-5-6-7-8-9-10-11-18-28-26-16-13-17-27(28)22-30-20-25-15-12-14-24(23(25)2)19-29-21-26/h12-17H,3-11,18-22H2,1-2H3
InChIKey	NFYUIVYIVNGOGC-UHFFFAOYSA-N
Molecular Weight	440.748 g/mol
SMILES	c1(c2CSCc3cccc(c3CCCCCCCCCCC)CSCc1ccc2)C
SPLASH	splash10-000i-0090400000-2504c5943b5bd6689468
Source of Spectrum	J-62-931-24
Synonyms	17-Methyl-18-undecyl-3,11-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),5(18),6,8,13,15-hexaene
Wiley ID	1384856