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2,11-Dithia[3.3]orthometacyclophane
SpectraBase Compound ID 4Y3xC27wMGB
InChI InChI=1S/C16H16S2/c1-2-7-16-12-18-10-14-5-3-4-13(8-14)9-17-11-15(16)6-1/h1-8H,9-12H2
InChIKey FYYOCZGMHLORMA-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 LamX6YkJSDH
Name 2,11-Dithia[3.3]orthometacyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16S2
InChI InChI=1S/C16H16S2/c1-2-7-16-12-18-10-14-5-3-4-13(8-14)9-17-11-15(16)6-1/h1-8H,9-12H2
InChIKey FYYOCZGMHLORMA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19901231221
Molecular Weight 272.424 g/mol
SMILES c1cc2c(cc1)CSCc1cc(CSC2)ccc1
SPLASH splash10-000i-0910000000-1b6cfaa977680ff0a80b
Source of Spectrum K-123-2384-5
Synonyms 1,11-dihydro-3H,9H-4,8-(metheno)benzo[c][1,6]dithiacyclotridecine
Wiley ID 1792079