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2,11-dithia[3.3](1,3)(5,6-indano)cyclophane
SpectraBase Compound ID 4YKTufvuo8t
InChI InChI=1S/C19H20S2/c1-3-14-7-15(4-1)11-21-13-19-9-17-6-2-5-16(17)8-18(19)12-20-10-14/h1,3-4,7-9H,2,5-6,10-13H2
InChIKey PDYKUSJKJVEFLK-UHFFFAOYSA-N
Mol Weight 312.49 g/mol
Molecular Formula C19H20S2
Exact Mass 312.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALlHMSpETVo
Name 2,11-dithia[3.3](1,3)(5,6-indano)cyclophane
Alternate Name(s) 3,15-dithiatetracyclo[15.3.1.0(5,13).0(7,11)]henicosa-1(21),5(13),6,11,17,19-hexaene
CAS Registry Number 127791-72-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20S2
InChI InChI=1S/C19H20S2/c1-3-14-7-15(4-1)11-21-13-19-9-17-6-2-5-16(17)8-18(19)12-20-10-14/h1,3-4,7-9H,2,5-6,10-13H2
InChIKey PDYKUSJKJVEFLK-UHFFFAOYSA-N
Molecular Weight 312.489 g/mol
SMILES c12c(cc3c(c2)CCC3)CSCc2cccc(c2)CSC1
SPLASH splash10-004i-0900000000-15f24ae2b618de67a53c
Source of Spectrum K-123-2385-12
Wiley ID 1313531