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1,3-DITHIA-5,6-BENZOCYCLOHEPTENE

View entire compound with spectra: 4 NMR, and 1 MS (GC)

1,3-DITHIA-5,6-BENZOCYCLOHEPTENE
SpectraBase Compound ID 1IIN32IddEr
InChI InChI=1S/C9H10S2/c1-2-4-9-6-11-7-10-5-8(9)3-1/h1-4H,5-7H2
InChIKey XKBZAEGUFRRDCW-UHFFFAOYSA-N
Mol Weight 182.3 g/mol
Molecular Formula C9H10S2
Exact Mass 182.022393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Z9ZKseqjeK
Name 1,3-DITHIA-5,6-BENZCYCLOHEPTENE (CONFORMER 2)
Comments 0
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C9H10S2
InChI InChI=1S/C9H10S2/c1-2-4-9-6-11-7-10-5-8(9)3-1/h1-4H,5-7H2
InChIKey XKBZAEGUFRRDCW-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