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2-Amino-3-methyl-3-sulfino-butanoic acid, 4-nitro-benzyl ester

View entire compound with spectra: 1 NMR

2-Amino-3-methyl-3-sulfino-butanoic acid, 4-nitro-benzyl ester
SpectraBase Compound ID 9l26sMI5dRR
InChI InChI=1S/C12H16N2O6S/c1-12(2,21(18)19)10(13)11(15)20-7-8-3-5-9(6-4-8)14(16)17/h3-6,10H,7,13H2,1-2H3,(H,18,19)
InChIKey SWIKCNSBINHZHE-UHFFFAOYSA-N
Mol Weight 316.33 g/mol
Molecular Formula C12H16N2O6S
Exact Mass 316.072907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2LIZxVfVkR2
Name 2-Amino-3-methyl-3-sulfino-butanoic acid, 4-nitro-benzyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16N2O6S
InChI InChI=1S/C12H16N2O6S/c1-12(2,21(18)19)10(13)11(15)20-7-8-3-5-9(6-4-8)14(16)17/h3-6,10H,7,13H2,1-2H3,(H,18,19)
InChIKey SWIKCNSBINHZHE-UHFFFAOYSA-N
Instrument Name Jeol FX-200
Literature Reference M. Davis, Wen-Yang Wu, J. Chem. Soc. Perkin I 183 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6