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methyl 2-{[4-(1H-tetraazol-1-yl)benzoyl]amino}benzoate

View entire compound with spectra: 2 NMR

methyl 2-{[4-(1H-tetraazol-1-yl)benzoyl]amino}benzoate
SpectraBase Compound ID JIzRmp2G6rK
InChI InChI=1S/C16H13N5O3/c1-24-16(23)13-4-2-3-5-14(13)18-15(22)11-6-8-12(9-7-11)21-10-17-19-20-21/h2-10H,1H3,(H,18,22)
InChIKey GKLCSNUFWOSRNB-UHFFFAOYSA-N
Mol Weight 323.31 g/mol
Molecular Formula C16H13N5O3
Exact Mass 323.101839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSudAJaZJkD
Name Methyl 2-{[4-(1H-tetraazol-1-yl)benzoyl]amino}benzoate
Comments Computed using HOSE algorithm
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Exact Mass 323.101839296 u
Formula C16H13N5O3
InChI InChI=1S/C16H13N5O3/c1-24-16(23)13-4-2-3-5-14(13)18-15(22)11-6-8-12(9-7-11)21-10-17-19-20-21/h2-10H,1H3,(H,18,22)
InChIKey GKLCSNUFWOSRNB-UHFFFAOYSA-N
Molecular Weight 323.312 g/mol
SMILES N(C(C=1C=CC(N2N=NN=C2)=CC1)=O)C=1C(C(=O)OC)=CC=CC1