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benzoic acid, 4-[5-[[(2-methyl-1-naphthalenyl)methyl]thio]-1H-tetrazol-1-yl]-, methyl ester
SpectraBase Compound ID KI9PlMK8mii
InChI InChI=1S/C21H18N4O2S/c1-14-7-8-15-5-3-4-6-18(15)19(14)13-28-21-22-23-24-25(21)17-11-9-16(10-12-17)20(26)27-2/h3-12H,13H2,1-2H3
InChIKey UGKSNBGVTZSPFG-UHFFFAOYSA-N
Mol Weight 390.46 g/mol
Molecular Formula C21H18N4O2S
Exact Mass 390.115047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ANEqcXaNdlB
Name benzoic acid, 4-[5-[[(2-methyl-1-naphthalenyl)methyl]thio]-1H-tetrazol-1-yl]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.115047008 u
Formula C21H18N4O2S
InChI InChI=1S/C21H18N4O2S/c1-14-7-8-15-5-3-4-6-18(15)19(14)13-28-21-22-23-24-25(21)17-11-9-16(10-12-17)20(26)27-2/h3-12H,13H2,1-2H3
InChIKey UGKSNBGVTZSPFG-UHFFFAOYSA-N
Molecular Weight 390.461 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1840
Solvent DMSO-d6
Source Vendor ID: ZI/8169412; Lab Info: LP; Lab Number: LP-3700568
Temperature 29.85 °C