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2,11-dithia[3.3](1,2)(4,6-indano)cyclophane
SpectraBase Compound ID 7DlC8dZBl6u
InChI InChI=1S/C19H20S2/c1-2-5-17-12-21-13-18-9-14(10-20-11-16(17)4-1)8-15-6-3-7-19(15)18/h1-2,4-5,8-9H,3,6-7,10-13H2
InChIKey ZNUHFEKMJZNGCH-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 GLzSODEdw0x
Name 2,11-dithia[3.3](1,2)(4,6-indano)cyclophane
CAS Registry Number 127762-71-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20S2
InChI InChI=1S/C19H20S2/c1-2-5-17-12-21-13-18-9-14(10-20-11-16(17)4-1)8-15-6-3-7-19(15)18/h1-2,4-5,8-9H,3,6-7,10-13H2
InChIKey ZNUHFEKMJZNGCH-UHFFFAOYSA-N
Molecular Weight 312.489 g/mol
SMILES c12c3c(CCC3)cc(c1)CSCc1c(CSC2)cccc1
SPLASH splash10-000l-0900000000-2429342e2c2ea1a731f2
Source of Spectrum K-123-2385-14
Synonyms 3,12-dithiatetracyclo[12.6.1.0(5,10).0(15,19)]henicosa-1(21),5,7,9,14,19-hexaene
Wiley ID 1313532