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3-Ethoxycarbonyl-propanethiosulfinic acid, 3-ethoxycarbonyl-propyl ester
SpectraBase Compound ID HsrSIUxiNKc
InChI InChI=1S/C12H22O5S2/c1-3-16-11(13)7-5-9-18-19(15)10-6-8-12(14)17-4-2/h3-10H2,1-2H3
InChIKey MDWWFGOIWNNBDQ-UHFFFAOYSA-N
Mol Weight 310.42 g/mol
Molecular Formula C12H22O5S2
Exact Mass 310.090866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4Rt01b4ZL0
Name 3-Ethoxycarbonyl-propanethiosulfinic acid, 3-ethoxycarbonyl-propyl ester
CAS Registry Number 104228-54-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H22O5S2
InChI InChI=1S/C12H22O5S2/c1-3-16-11(13)7-5-9-18-19(15)10-6-8-12(14)17-4-2/h3-10H2,1-2H3
InChIKey MDWWFGOIWNNBDQ-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference E. Block, S. Ahmad, J.L. Catalfamo, J. Am. Chem. Soc. 108, 7045 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3