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2-TERT-BUTYL-1,3-DITHIA-5,6-BENZCYCLOHEPTENE (CONFORMER 1)
SpectraBase Compound ID 6Zs8DdhHG8W
InChI InChI=1S/C13H18S2/c1-13(2,3)12-14-8-10-6-4-5-7-11(10)9-15-12/h4-7,12H,8-9H2,1-3H3
InChIKey AZXHIFSELRPKEP-UHFFFAOYSA-N
Mol Weight 238.41 g/mol
Molecular Formula C13H18S2
Exact Mass 238.084993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6tYzMlomMui
Name 2-TERT-BUTYL-1,3-DITHIA-5,6-BENZCYCLOHEPTENE (CONFORMER 1)
Comments Ch
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18S2
InChI InChI=1S/C13H18S2/c1-13(2,3)12-14-8-10-6-4-5-7-11(10)9-15-12/h4-7,12H,8-9H2,1-3H3
InChIKey AZXHIFSELRPKEP-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference E.N.KLIMOVITSKY, D.YU.STREL'NIK, V.V.KLOCHKOV, SH.K.LATYPOV (1992)Zhurn.Org.Khim.(Russ. Lang.): v.28, N8, 1587-1596.
NMR Standard HMDS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CS2 carbon disulphid