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benzoic acid, 4-[5-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1H-tetrazol-1-yl]-
SpectraBase Compound ID 51QAYXVy12l
InChI InChI=1S/C16H11N5O5S/c22-14(10-1-7-13(8-2-10)21(25)26)9-27-16-17-18-19-20(16)12-5-3-11(4-6-12)15(23)24/h1-8H,9H2,(H,23,24)
InChIKey NYIQVTKVZCHUAM-UHFFFAOYSA-N
Mol Weight 385.35 g/mol
Molecular Formula C16H11N5O5S
Exact Mass 385.04809 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID hD5bchvyBt
Name benzoic acid, 4-[5-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1H-tetrazol-1-yl]-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.048089643 u
Formula C16H11N5O5S
InChI InChI=1S/C16H11N5O5S/c22-14(10-1-7-13(8-2-10)21(25)26)9-27-16-17-18-19-20(16)12-5-3-11(4-6-12)15(23)24/h1-8H,9H2,(H,23,24)
InChIKey NYIQVTKVZCHUAM-UHFFFAOYSA-N
Molecular Weight 385.354 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6581
Solvent DMSO-d6
Source Vendor ID: NMR/9291360; Lab Info: LP; Lab Number: LP-3701061