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2,11-Dithia[3.3]orthometacyclophane

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CcPZifXtWIW
Name Dithia-(3.3)meta-ortho-cyclophane
CAS Registry Number 23144-82-3
Comments ASSIGNED BY 2D C,H-COSY AND -COLOC
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Bruker AM-400
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3