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4-[2-(5-o-Tolyl-tetrazol-2-yl)-acetylamino]-benzoic acid ethyl ester
SpectraBase Compound ID 9xAGTxi7PHM
InChI InChI=1S/C19H19N5O3/c1-3-27-19(26)14-8-10-15(11-9-14)20-17(25)12-24-22-18(21-23-24)16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,20,25)
InChIKey KIQUVMAZPLWNDI-UHFFFAOYSA-N
Mol Weight 365.39 g/mol
Molecular Formula C19H19N5O3
Exact Mass 365.148789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CzCEZTJkKNI
Name 4-[2-(5-o-Tolyl-tetrazol-2-yl)-acetylamino]-benzoic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.148789489 u
Formula C19H19N5O3
InChI InChI=1S/C19H19N5O3/c1-3-27-19(26)14-8-10-15(11-9-14)20-17(25)12-24-22-18(21-23-24)16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,20,25)
InChIKey KIQUVMAZPLWNDI-UHFFFAOYSA-N
Molecular Weight 365.393 g/mol
SMILES C1(=NN(CC(NC2=CC=C(C(OCC)=O)C=C2)=O)N=N1)C=1C(C)=CC=CC1