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2-PHENYL-1,3-DITHIA-5,6-BENZCYCLOHEPTENE (CONFORMER 1)
SpectraBase Compound ID AyihsCyCdnw
InChI InChI=1S/C15H14S2/c1-2-6-12(7-3-1)15-16-10-13-8-4-5-9-14(13)11-17-15/h1-9,15H,10-11H2
InChIKey NGZFQBDSDORJJB-UHFFFAOYSA-N
Mol Weight 258.4 g/mol
Molecular Formula C15H14S2
Exact Mass 258.053693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXikTNiiOua
Name 2-PHENYL-1,3-DITHIA-5,6-BENZCYCLOHEPTENE (CONFORMER 2)
Comments 71
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H14S2
InChI InChI=1S/C15H14S2/c1-2-6-12(7-3-1)15-16-10-13-8-4-5-9-14(13)11-17-15/h1-9,15H,10-11H2
InChIKey NGZFQBDSDORJJB-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