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2-Hexylthiomethyl-1-methylsulfonyl-4-(2-methoxyc arbonylethyl)-3-methoxycarbonylmethyl-pyrrole
SpectraBase Compound ID 5QvbIGwcnZS
InChI InChI=1S/C19H31NO6S2/c1-5-6-7-8-11-27-14-17-16(12-19(22)26-3)15(9-10-18(21)25-2)13-20(17)28(4,23)24/h13H,5-12,14H2,1-4H3
InChIKey ZLFFUXFPJUDWQR-UHFFFAOYSA-N
Mol Weight 433.58 g/mol
Molecular Formula C19H31NO6S2
Exact Mass 433.15928 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E13zB8YcwzN
Name 2-Hexylthiomethyl-1-methylsulfonyl-4-(2-methoxyc arbonylethyl)-3-methoxycarbonylmethyl-pyrrole
CAS Registry Number 127880-00-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H31NO6S2
InChI InChI=1S/C19H31NO6S2/c1-5-6-7-8-11-27-14-17-16(12-19(22)26-3)15(9-10-18(21)25-2)13-20(17)28(4,23)24/h13H,5-12,14H2,1-4H3
InChIKey ZLFFUXFPJUDWQR-UHFFFAOYSA-N
Instrument Name Bruker AM-400
Literature Reference A.D. Miller, F.J. Leeper, A.R. Battersby, J. Chem. Soc. Perkin I 1943 (1989).
NMR Standard CD3OD
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD