For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Thiocyanic acid, 2-methyl-2-butene-1,4-diyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Thiocyanic acid, 2-methyl-2-butene-1,4-diyl ester
SpectraBase Compound ID 9XDWoxT2bji
InChI InChI=1S/C7H8N2S2/c1-7(4-11-6-9)2-3-10-5-8/h2H,3-4H2,1H3/b7-2+
InChIKey IMOUKMJHUNACCO-FARCUNLSSA-N
Mol Weight 184.27 g/mol
Molecular Formula C7H8N2S2
Exact Mass 184.012891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Bv2tSbsW760
Name 2-Methyl-1,4-dithiocyanato-but-2-ene
CAS Registry Number 104514-72-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H8N2S2
InChI InChI=1S/C7H8N2S2/c1-7(4-11-6-9)2-3-10-5-8/h2H,3-4H2,1H3/b7-2+
InChIKey IMOUKMJHUNACCO-FARCUNLSSA-N
Instrument Name Bruker AM-360
Literature Reference E.H. Abd Elall, J.M. Mellor, J. Chem. Soc. Perkin I 2729 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3