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benzoic acid, 4-[5-[[(2-methyl-1-naphthalenyl)methyl]thio]-1H-tetrazol-1-yl]-
SpectraBase Compound ID 4GBxTiS4WgE
InChI InChI=1S/C20H16N4O2S/c1-13-6-7-14-4-2-3-5-17(14)18(13)12-27-20-21-22-23-24(20)16-10-8-15(9-11-16)19(25)26/h2-11H,12H2,1H3,(H,25,26)
InChIKey LZWGDNRALBUFQC-UHFFFAOYSA-N
Mol Weight 376.43 g/mol
Molecular Formula C20H16N4O2S
Exact Mass 376.099397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6rru3NidqBG
Name benzoic acid, 4-[5-[[(2-methyl-1-naphthalenyl)methyl]thio]-1H-tetrazol-1-yl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.099396943 u
Formula C20H16N4O2S
InChI InChI=1S/C20H16N4O2S/c1-13-6-7-14-4-2-3-5-17(14)18(13)12-27-20-21-22-23-24(20)16-10-8-15(9-11-16)19(25)26/h2-11H,12H2,1H3,(H,25,26)
InChIKey LZWGDNRALBUFQC-UHFFFAOYSA-N
Molecular Weight 376.434 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1837
Solvent DMSO-d6
Source Vendor ID: ZI/8166712; Lab Info: LP; Lab Number: LP-3700548
Temperature 29.85 °C