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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

View entire compound with spectra: 2 NMR

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID ECwboxPosRv
InChI InChI=1S/C27H26N4O5S/c1-18-3-8-22(9-4-18)36-16-25-29-30-27(31(25)20-6-10-21(33-2)11-7-20)37-17-26(32)28-19-5-12-23-24(15-19)35-14-13-34-23/h3-12,15H,13-14,16-17H2,1-2H3,(H,28,32)
InChIKey GUEROOPYNWBSKO-UHFFFAOYSA-N
Mol Weight 518.59 g/mol
Molecular Formula C27H26N4O5S
Exact Mass 518.162391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5CjQCzDjtd8
Name N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.162391122 u
Formula C27H26N4O5S
InChI InChI=1S/C27H26N4O5S/c1-18-3-8-22(9-4-18)36-16-25-29-30-27(31(25)20-6-10-21(33-2)11-7-20)37-17-26(32)28-19-5-12-23-24(15-19)35-14-13-34-23/h3-12,15H,13-14,16-17H2,1-2H3,(H,28,32)
InChIKey GUEROOPYNWBSKO-UHFFFAOYSA-N
Molecular Weight 518.588 g/mol
SMILES N(C(CSC=1N(C(=NN1)COC1=CC=C(C=C1)C)C=1C=CC(=CC1)OC)=O)C1=CC=2OCCOC2C=C1