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benzoic acid, 4-[5-[[(4-chlorophenyl)phenylmethyl]thio]-1H-tetrazol-1-yl]-
SpectraBase Compound ID F2f880m218A
InChI InChI=1S/C21H15ClN4O2S/c22-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)29-21-23-24-25-26(21)18-12-8-16(9-13-18)20(27)28/h1-13,19H,(H,27,28)
InChIKey TYLRTAGNUMITMV-UHFFFAOYSA-N
Mol Weight 422.89 g/mol
Molecular Formula C21H15ClN4O2S
Exact Mass 422.060425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AuZGO2ltcc8
Name benzoic acid, 4-[5-[[(4-chlorophenyl)phenylmethyl]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 422.060424611 u
Formula C21H15ClN4O2S
InChI InChI=1S/C21H15ClN4O2S/c22-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)29-21-23-24-25-26(21)18-12-8-16(9-13-18)20(27)28/h1-13,19H,(H,27,28)
InChIKey TYLRTAGNUMITMV-UHFFFAOYSA-N
Molecular Weight 422.890 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8593
Solvent DMSO-d6
Source Vendor ID: NMR/10210263; Lab Info: LP; Lab Number: LP-3701155