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(2'-(1-n-Hexyl-1H-1,2,3-triazol-4-yl)-3'-methylbiphenyl-4-yl)(phenyl)methanone

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

(2'-(1-n-Hexyl-1H-1,2,3-triazol-4-yl)-3'-methylbiphenyl-4-yl)(phenyl)methanone
SpectraBase Compound ID AKTZLcXFPAQ
InChI InChI=1S/C28H29N3O/c1-3-4-5-9-19-31-20-26(29-30-31)27-21(2)11-10-14-25(27)22-15-17-24(18-16-22)28(32)23-12-7-6-8-13-23/h6-8,10-18,20H,3-5,9,19H2,1-2H3
InChIKey RLGMJVNHWXYBHN-UHFFFAOYSA-N
Mol Weight 423.56 g/mol
Molecular Formula C28H29N3O
Exact Mass 423.231063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8EDPBmJ9anF
Name (2'-(1-N-Hexyl-1H-1,2,3-triazol-4-yl)-3'-methylbiphenyl-4-yl)(phenyl)methanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.231062565 u
Formula C28H29N3O
InChI InChI=1S/C28H29N3O/c1-3-4-5-9-19-31-20-26(29-30-31)27-21(2)11-10-14-25(27)22-15-17-24(18-16-22)28(32)23-12-7-6-8-13-23/h6-8,10-18,20H,3-5,9,19H2,1-2H3
InChIKey RLGMJVNHWXYBHN-UHFFFAOYSA-N
Molecular Weight 423.560 g/mol
SMILES C=1(N=NN(C1)CCCCCC)C1=C(C=2C=CC(C(=O)C3=CC=CC=C3)=CC2)C=CC=C1C