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2-Formyl-5-hexylthiomethyl-3-(2-methoxycarbonylethyl)-4-M ethoxycarbonylmethyl-pyrrole
SpectraBase Compound ID DSscUB5A4Dv
InChI InChI=1S/C19H29NO5S/c1-4-5-6-7-10-26-13-17-15(11-19(23)25-3)14(16(12-21)20-17)8-9-18(22)24-2/h12,20H,4-11,13H2,1-3H3
InChIKey IEAJQVOJYMSXSP-UHFFFAOYSA-N
Mol Weight 383.5 g/mol
Molecular Formula C19H29NO5S
Exact Mass 383.176644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8B1MA5KuhMW
Name 2-Formyl-5-hexylthiomethyl-3-(2-methoxycarbonylethyl)-4-M ethoxycarbonylmethyl-pyrrole
CAS Registry Number 127879-88-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H29NO5S
InChI InChI=1S/C19H29NO5S/c1-4-5-6-7-10-26-13-17-15(11-19(23)25-3)14(16(12-21)20-17)8-9-18(22)24-2/h12,20H,4-11,13H2,1-3H3
InChIKey IEAJQVOJYMSXSP-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 CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3