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1-OXO-3-METHYL-3,6-DIETHYLBENZO[C]ISOXAZOLINIUM BISULPHATE

View entire compound with spectra: 1 NMR

1-OXO-3-METHYL-3,6-DIETHYLBENZO[C]ISOXAZOLINIUM BISULPHATE
SpectraBase Compound ID FToI5qTlfd1
InChI InChI=1S/C12H16NO2.H2O4S/c1-4-9-6-7-10-11(8-9)13(14)15-12(10,3)5-2;1-5(2,3)4/h6-8H,4-5H2,1-3H3;(H2,1,2,3,4)/q+1;/p-1
InChIKey FWXITGJSQDYNJA-UHFFFAOYSA-M
Mol Weight 303.33 g/mol
Molecular Formula C12H17NO6S
Exact Mass 303.077658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8EgPV0A6Tzl
Name 1-OXO-3-METHYL-3,6-DIETHYLBENZO[C]ISOXAZOLINIUM BISULPHATE
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C12H17NO6S
InChI InChI=1S/C12H16NO2.H2O4S/c1-4-9-6-7-10-11(8-9)13(14)15-12(10,3)5-2;1-5(2,3)4/h6-8H,4-5H2,1-3H3;(H2,1,2,3,4)/q+1;/p-1
InChIKey FWXITGJSQDYNJA-UHFFFAOYSA-M
Instrument Name Varian XL-100
Literature Reference V.I.DAINEKO, V.A.CHERTKOV, S.S.MOCHALOV, YU.S.SHABAROV (1974)Zhurn.Org.Khim.(Russ. Lang.): v.10, N12, 2536-2542.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent H2SO4 sulphuric acid