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benzoic acid, 4-(1H-tetrazol-1-yl)-, 2-(3,4-dimethylphenyl)-2-oxoethylester

View entire compound with spectra: 1 NMR

benzoic acid, 4-(1H-tetrazol-1-yl)-, 2-(3,4-dimethylphenyl)-2-oxoethylester
SpectraBase Compound ID G2XEeBznih7
InChI InChI=1S/C18H16N4O3/c1-12-3-4-15(9-13(12)2)17(23)10-25-18(24)14-5-7-16(8-6-14)22-11-19-20-21-22/h3-9,11H,10H2,1-2H3
InChIKey GYKDAQLLVHKKET-UHFFFAOYSA-N
Mol Weight 336.35 g/mol
Molecular Formula C18H16N4O3
Exact Mass 336.12224 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4cHXxlmprR5
Name benzoic acid, 4-(1H-tetrazol-1-yl)-, 2-(3,4-dimethylphenyl)-2-oxoethylester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.122240388 u
Formula C18H16N4O3
InChI InChI=1S/C18H16N4O3/c1-12-3-4-15(9-13(12)2)17(23)10-25-18(24)14-5-7-16(8-6-14)22-11-19-20-21-22/h3-9,11H,10H2,1-2H3
InChIKey GYKDAQLLVHKKET-UHFFFAOYSA-N
Molecular Weight 336.351 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9412
Solvent DMSO-d6
Source Vendor ID: ZI/9093765; Lab Info: AI; Lab Number: AI-1299085