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4-(2-Carboxyethyl)-3-carboxymethyl-2-hexylthiome thyl-pyrrole

View entire compound with spectra: 1 NMR

4-(2-Carboxyethyl)-3-carboxymethyl-2-hexylthiome thyl-pyrrole
SpectraBase Compound ID 1U45XgDFapK
InChI InChI=1S/C16H25NO4S/c1-2-3-4-5-8-22-11-14-13(9-16(20)21)12(10-17-14)6-7-15(18)19/h10,17H,2-9,11H2,1H3,(H,18,19)(H,20,21)
InChIKey GOZCXJPQFOAIQS-UHFFFAOYSA-N
Mol Weight 327.44 g/mol
Molecular Formula C16H25NO4S
Exact Mass 327.150429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 667412Eov1m
Name 4-(2-Carboxyethyl)-3-carboxymethyl-2-hexylthiome thyl-pyrrole
CAS Registry Number 127880-04-0
Comments PD=7|SHIFTCORRECTION: -2.0 PPM, REASSIGNED A.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H25NO4S
InChI InChI=1S/C16H25NO4S/c1-2-3-4-5-8-22-11-14-13(9-16(20)21)12(10-17-14)6-7-15(18)19/h10,17H,2-9,11H2,1H3,(H,18,19)(H,20,21)
InChIKey GOZCXJPQFOAIQS-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 D2O
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O