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2-(4-Methyl-5-naphthalen-1-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-(4-Methyl-5-naphthalen-1-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
SpectraBase Compound ID IARyp8kLl8b
InChI InChI=1S/C21H24N4O2S/c1-25-19(12-16-8-4-7-15-6-2-3-10-18(15)16)23-24-21(25)28-14-20(26)22-13-17-9-5-11-27-17/h2-4,6-8,10,17H,5,9,11-14H2,1H3,(H,22,26)
InChIKey IILQGLAKGBMSTK-UHFFFAOYSA-N
Mol Weight 396.51 g/mol
Molecular Formula C21H24N4O2S
Exact Mass 396.161997 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73H1SeniJSU
Name 2-(4-Methyl-5-naphthalen-1-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.161997201 u
Formula C21H24N4O2S
InChI InChI=1S/C21H24N4O2S/c1-25-19(12-16-8-4-7-15-6-2-3-10-18(15)16)23-24-21(25)28-14-20(26)22-13-17-9-5-11-27-17/h2-4,6-8,10,17H,5,9,11-14H2,1H3,(H,22,26)
InChIKey IILQGLAKGBMSTK-UHFFFAOYSA-N
Molecular Weight 396.509 g/mol
SMILES C1=CC=C2C(=C1)C=CC=C2CC=1N(C(SCC(NCC2CCCO2)=O)=NN1)C