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acetamide, N-(1,1-dimethylethyl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]-
SpectraBase Compound ID G3HWk5pvKhU
InChI InChI=1S/C13H17N5OS/c1-13(2,3)14-11(19)9-20-12-15-16-17-18(12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,19)
InChIKey MKKHVKKYZDJMIT-UHFFFAOYSA-N
Mol Weight 291.37 g/mol
Molecular Formula C13H17N5OS
Exact Mass 291.115381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BMpeXSU13dL
Name Acetamide, N-(1,1-dimethylethyl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.115381360 u
Formula C13H17N5OS
InChI InChI=1S/C13H17N5OS/c1-13(2,3)14-11(19)9-20-12-15-16-17-18(12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,19)
InChIKey MKKHVKKYZDJMIT-UHFFFAOYSA-N
SMILES N(C(CSC=1N(N=NN1)C=1C=CC=CC1)=O)C(C)(C)C