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10H,12H-1,13:5,9-Dimetheno-2H,4H-3,11-benzodithiacyclohexadecin, stereoisomer

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10H,12H-1,13:5,9-Dimetheno-2H,4H-3,11-benzodithiacyclohexadecin, stereoisomer
SpectraBase Compound ID EB21tFykRY6
InChI InChI=1S/C20H18S2/c1-2-7-20-18(6-1)9-17-10-19(20)14-22-12-16-5-3-4-15(8-16)11-21-13-17/h1-10H,11-14H2
InChIKey ZFBORBZEPFAQAB-UHFFFAOYSA-N
Mol Weight 322.48 g/mol
Molecular Formula C20H18S2
Exact Mass 322.084993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTW4R1qrIY0
Name 2,13-Dithia-(3)metacyclo(3)-(1,3)naphthalenophane
CAS Registry Number 72150-49-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H18S2
InChI InChI=1S/C20H18S2/c1-2-7-20-18(6-1)9-17-10-19(20)14-22-12-16-5-3-4-15(8-16)11-21-13-17/h1-10H,11-14H2
InChIKey ZFBORBZEPFAQAB-UHFFFAOYSA-N
Instrument Name Nicolet TT-14
Literature Reference R.H. Mitchell, R.J. Carruthers, L. Mazuch, J. Am. Chem. Soc. 104, 2544 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3