For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
10H,12H-1,13:5,9-Dimetheno-2H,4H-3,11-benzodithiacyclohexadecin, stereoisomer
SpectraBase Compound ID EB21tFykRY6
InChI InChI=1S/C20H18S2/c1-2-7-20-18(6-1)9-17-10-19(20)14-22-12-16-5-3-4-15(8-16)11-21-13-17/h1-10H,11-14H2
InChIKey ZFBORBZEPFAQAB-UHFFFAOYSA-N
Mol Weight 322.48 g/mol
Molecular Formula C20H18S2
Exact Mass 322.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BRWkMD4z4ib
Name 10H,12H-1,13:5,9-Dimetheno-2H,4H-3,11-benzodithiacyclohexadecin, stereoisomer
CAS Registry Number 72150-49-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18S2
InChI InChI=1S/C20H18S2/c1-2-7-20-18(6-1)9-17-10-19(20)14-22-12-16-5-3-4-15(8-16)11-21-13-17/h1-10H,11-14H2
InChIKey ZFBORBZEPFAQAB-UHFFFAOYSA-N
Molecular Weight 322.484 g/mol
SMILES c12c3c(cccc3)cc(c1)CSCc1cc(CSC2)ccc1
SPLASH splash10-00di-0009000000-457eee5c7d08728875b9
Source of Spectrum C-104-2549-0
Synonyms 2,13-Dithia(3)metacyclo(3)naphthalenophane 3,11-dithiatetracyclo[11.7.1.1(5,9).0(14,19)]docosa-1(20),5(22),6,8,13(21),14,16,18-octaene
Wiley ID 1321929