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Dithia-(3.3)ortho-para-cyclophane
SpectraBase Compound ID EoJZruht2Qo
InChI InChI=1S/C16H16S2/c1-2-4-16-12-18-10-14-7-5-13(6-8-14)9-17-11-15(16)3-1/h1-8H,9-12H2
InChIKey PRMBUGOQNSCWKQ-UHFFFAOYSA-N
Mol Weight 272.42 g/mol
Molecular Formula C16H16S2
Exact Mass 272.069343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdMQEewV1c8
Name 2,11-dithia[3,3](1,2)(1,4)cyclophane
Alternate Name(s) 3,12-dithiatricyclo[12.2.2.0(5,10)]octadeca-1(16),5,7,9,14,17-hexaene
CAS Registry Number 118724-09-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16S2
InChI InChI=1S/C16H16S2/c1-2-4-16-12-18-10-14-7-5-13(6-8-14)9-17-11-15(16)3-1/h1-8H,9-12H2
InChIKey PRMBUGOQNSCWKQ-UHFFFAOYSA-N
Molecular Weight 272.424 g/mol
SMILES C1SCc2ccc(CSCc3c1cccc3)cc2
SPLASH splash10-000i-1910000000-1742192a3d67b474a549
Source of Spectrum K-122-1015-8
Wiley ID 1276308