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acetamide, N-(2,6-dichlorophenyl)-2-[[1-(3-methoxyphenyl)-1H-tetrazol-5-yl]thio]-
SpectraBase Compound ID A2WV7Pmo7pC
InChI InChI=1S/C16H13Cl2N5O2S/c1-25-11-5-2-4-10(8-11)23-16(20-21-22-23)26-9-14(24)19-15-12(17)6-3-7-13(15)18/h2-8H,9H2,1H3,(H,19,24)
InChIKey GXVAMLTZITZVJE-UHFFFAOYSA-N
Mol Weight 410.28 g/mol
Molecular Formula C16H13Cl2N5O2S
Exact Mass 409.016701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CsrcMPk00zD
Name Acetamide, N-(2,6-dichlorophenyl)-2-[[1-(3-methoxyphenyl)-1H-tetrazol-5-yl]thio]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.016701251 u
Formula C16H13Cl2N5O2S
InChI InChI=1S/C16H13Cl2N5O2S/c1-25-11-5-2-4-10(8-11)23-16(20-21-22-23)26-9-14(24)19-15-12(17)6-3-7-13(15)18/h2-8H,9H2,1H3,(H,19,24)
InChIKey GXVAMLTZITZVJE-UHFFFAOYSA-N
Molecular Weight 410.279 g/mol
SMILES N(C=1C(Cl)=CC=CC1Cl)C(CSC=1N(N=NN1)C1=CC(OC)=CC=C1)=O