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2-{[3-(9-decenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-1-phenylethanone

View entire compound with spectra: 2 NMR

2-{[3-(9-decenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-1-phenylethanone
SpectraBase Compound ID BTqhplr6awc
InChI InChI=1S/C20H27N3OS/c1-2-3-4-5-6-7-8-12-15-19-21-20(23-22-19)25-16-18(24)17-13-10-9-11-14-17/h2,9-11,13-14H,1,3-8,12,15-16H2,(H,21,22,23)
InChIKey VHOJXFHUKFLDFB-UHFFFAOYSA-N
Mol Weight 357.52 g/mol
Molecular Formula C20H27N3OS
Exact Mass 357.187484 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZKuJceSogo
Name 2-{[3-(9-Decenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-1-phenylethanone
Comments Computed using HOSE algorithm
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Exact Mass 357.187483674 u
Formula C20H27N3OS
InChI InChI=1S/C20H27N3OS/c1-2-3-4-5-6-7-8-12-15-19-21-20(23-22-19)25-16-18(24)17-13-10-9-11-14-17/h2,9-11,13-14H,1,3-8,12,15-16H2,(H,21,22,23)
InChIKey VHOJXFHUKFLDFB-UHFFFAOYSA-N
Molecular Weight 357.516 g/mol
SMILES N1N=C(N=C1SCC(=O)C1=CC=CC=C1)CCCCCCCCC=C