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

*Links on SpectraBase are not permalinks.
syn-2,12-Dithia[3]metacyclo[3](4,6) indanophane
SpectraBase Compound ID 5lAZOBT2zPT
InChI InChI=1S/C19H20S2/c1-3-14-7-8-21-19-11-16(10-17-5-2-6-18(17)19)13-20-12-15(4-1)9-14/h1,3-4,9-11H,2,5-8,12-13H2
InChIKey NBCNKXKBZCINTO-UHFFFAOYSA-N
Mol Weight 312.49 g/mol
Molecular Formula C19H20S2
Exact Mass 312.100643 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 Ldf4CbWkiDh
Name syn-2,12-Dithia[3]metacyclo[3](4,6) indanophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20S2
InChI InChI=1S/C19H20S2/c1-3-14-7-8-21-19-11-16(10-17-5-2-6-18(17)19)13-20-12-15(4-1)9-14/h1,3-4,9-11H,2,5-8,12-13H2
InChIKey NBCNKXKBZCINTO-UHFFFAOYSA-N
Molecular Weight 312.489 g/mol
SMILES c12c3c(CCC3)cc(c1)CSCc1cccc(c1)CCS2
SPLASH splash10-01ox-0903000000-4b482b537941eec6f8df
Source of Spectrum K-126-173-24
Synonyms 3,12-dithiatetracyclo[11.6.1.1(5,9).0(14,18)]henicosa-1(20),5(21),6,8,13,18-hexaene
Wiley ID 1313535