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2-Benzotriazol-1-yl-butenedioic acid, dimethyl ester
SpectraBase Compound ID 9IYCoqIjbQ0
InChI InChI=1S/C12H11N3O4/c1-18-11(16)7-10(12(17)19-2)15-9-6-4-3-5-8(9)13-14-15/h3-7H,1-2H3/b10-7+
InChIKey TTYXIYUSIWALTG-JXMROGBWSA-N
Mol Weight 261.24 g/mol
Molecular Formula C12H11N3O4
Exact Mass 261.074956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2XoZp2RwaCe
Name 2-Benzotriazol-1-yl-butenedioic acid, dimethyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H11N3O4
InChI InChI=1S/C12H11N3O4/c1-18-11(16)7-10(12(17)19-2)15-9-6-4-3-5-8(9)13-14-15/h3-7H,1-2H3/b10-7+
InChIKey TTYXIYUSIWALTG-JXMROGBWSA-N
Instrument Name Varian XL-300
Literature Reference A.R. Katritzky, G.J. Hitchings, X.Zhao, J. Chem. Soc. Perkin I 2371 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3