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2-(1-Methyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(1-Methyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SpectraBase Compound ID KSuENGZlalh
InChI InChI=1S/C11H10F3N5O2S/c1-19-10(16-17-18-19)22-6-9(20)15-7-2-4-8(5-3-7)21-11(12,13)14/h2-5H,6H2,1H3,(H,15,20)
InChIKey CDWAPOZWHQBQRW-UHFFFAOYSA-N
Mol Weight 333.29 g/mol
Molecular Formula C11H10F3N5O2S
Exact Mass 333.05073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KUlfoz1qR1s
Name 2-(1-Methyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.050730243 u
Formula C11H10F3N5O2S
InChI InChI=1S/C11H10F3N5O2S/c1-19-10(16-17-18-19)22-6-9(20)15-7-2-4-8(5-3-7)21-11(12,13)14/h2-5H,6H2,1H3,(H,15,20)
InChIKey CDWAPOZWHQBQRW-UHFFFAOYSA-N
Molecular Weight 333.289 g/mol
SMILES C=1(N(N=NN1)C)SCC(NC=1C=CC(OC(F)(F)F)=CC1)=O