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benzoic acid, 4-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]methoxy]-

View entire compound with spectra: 2 NMR

benzoic acid, 4-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]methoxy]-
SpectraBase Compound ID 3sgMQWFvwrb
InChI InChI=1S/C16H14N4O4/c1-23-13-8-4-12(5-9-13)20-15(17-18-19-20)10-24-14-6-2-11(3-7-14)16(21)22/h2-9H,10H2,1H3,(H,21,22)
InChIKey PXVPKOUJTFDRER-UHFFFAOYSA-N
Mol Weight 326.31 g/mol
Molecular Formula C16H14N4O4
Exact Mass 326.101505 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWQ3hxmnedd
Name Benzoic acid, 4-[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]methoxy]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.101504943 u
Formula C16H14N4O4
InChI InChI=1S/C16H14N4O4/c1-23-13-8-4-12(5-9-13)20-15(17-18-19-20)10-24-14-6-2-11(3-7-14)16(21)22/h2-9H,10H2,1H3,(H,21,22)
InChIKey PXVPKOUJTFDRER-UHFFFAOYSA-N
Molecular Weight 326.312 g/mol
SMILES OC(C1=CC=C(OCC=2N(N=NN2)C2=CC=C(C=C2)OC)C=C1)=O