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1H-1,2,3,4-Tetrazole, 1-(4-methoxyphenyl)-5-[(phenylmethyl)sulfonyl]-
SpectraBase Compound ID 7ps0uomMNWs
InChI InChI=1S/C15H14N4O3S/c1-22-14-9-7-13(8-10-14)19-15(16-17-18-19)23(20,21)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey RVIAUVALULIGAP-UHFFFAOYSA-N
Mol Weight 330.36 g/mol
Molecular Formula C15H14N4O3S
Exact Mass 330.078661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9MiQ5LJDIJ1
Name 1H-1,2,3,4-Tetrazole, 1-(4-methoxyphenyl)-5-[(phenylmethyl)sulfonyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.078661498 u
Formula C15H14N4O3S
InChI InChI=1S/C15H14N4O3S/c1-22-14-9-7-13(8-10-14)19-15(16-17-18-19)23(20,21)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey RVIAUVALULIGAP-UHFFFAOYSA-N
Molecular Weight 330.362 g/mol
SMILES C=1(N(C2=CC=C(OC)C=C2)N=NN1)S(CC1=CC=CC=C1)(=O)=O