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4-(2-Carboxyethyl)-3-carboxymethyl-2-hexylaminom ethyl-pyrrolium cation

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4-(2-Carboxyethyl)-3-carboxymethyl-2-hexylaminom ethyl-pyrrolium cation
SpectraBase Compound ID GaNQSOW3vJq
InChI InChI=1S/C16H26N2O4/c1-2-3-4-5-8-17-11-14-13(9-16(21)22)12(10-18-14)6-7-15(19)20/h10,17-18H,2-9,11H2,1H3,(H,19,20)(H,21,22)/p+1
InChIKey GLCAZERBLFGMII-UHFFFAOYSA-O
Mol Weight 311.4 g/mol
Molecular Formula C16H27N2O4
Exact Mass 311.197082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BkLgOUdzfkj
Name 4-(2-Carboxyethyl)-3-carboxymethyl-2-hexylaminom ethyl-pyrrolium cation
Comments MONOFORMATE, PD 7|SHIFTCORRECTION: -2.0 PPM, REASSIGNED A.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H27N2O4
InChI InChI=1S/C16H26N2O4/c1-2-3-4-5-8-17-11-14-13(9-16(21)22)12(10-18-14)6-7-15(19)20/h10,17-18H,2-9,11H2,1H3,(H,19,20)(H,21,22)/p+1
InChIKey GLCAZERBLFGMII-UHFFFAOYSA-O
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