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5,5-DIMETHYL-4-CYANOMETHYLENE-1,3-OXATHIOLAN-2-ONE
SpectraBase Compound ID AWTRzz1Qjg1
InChI InChI=1S/C7H7NO2S/c1-7(2)5(3-4-8)11-6(9)10-7/h3H,1-2H3/b5-3-
InChIKey IRINIHWNPHAOTE-HYXAFXHYSA-N
Mol Weight 169.2 g/mol
Molecular Formula C7H7NO2S
Exact Mass 169.01975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7nC20EOi1km
Name 5,5-DIMETHYL-4-CYANOMETHYLENE-1,3-OXATHIOLAN-2-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H7NO2S
InChI InChI=1S/C7H7NO2S/c1-7(2)5(3-4-8)11-6(9)10-7/h3H,1-2H3/b5-3-
InChIKey IRINIHWNPHAOTE-HYXAFXHYSA-N
Instrument Name Tesla BS567A
Literature Reference B.A.TROFIMOV, YU.M.SKVORTSOV, E.I.MOSCHEVITINA, A.G.MAL'KINA, V.K.BEL'SKY(1991) Zhurn.Org.Khim.(Russ. Lang.): v.27, N6, 1188-1193.
NMR Standard HMDS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d