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1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methyl]-alpha-phenyl-
SpectraBase Compound ID 5axqLLINF18
InChI InChI=1S/C17H15Cl2N3O/c18-14-7-6-13(15(19)9-14)8-16(22-11-20-10-21-22)17(23)12-4-2-1-3-5-12/h1-7,9-11,16-17,23H,8H2
InChIKey XGWFBBJVQWHFCC-UHFFFAOYSA-N
Mol Weight 348.23 g/mol
Molecular Formula C17H15Cl2N3O
Exact Mass 347.059218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I8GKSpeUaCT
Name 1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methyl]-alpha-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.059217514 u
Formula C17H15Cl2N3O
InChI InChI=1S/C17H15Cl2N3O/c18-14-7-6-13(15(19)9-14)8-16(22-11-20-10-21-22)17(23)12-4-2-1-3-5-12/h1-7,9-11,16-17,23H,8H2
InChIKey XGWFBBJVQWHFCC-UHFFFAOYSA-N
Molecular Weight 348.233 g/mol
SMILES OC(C(CC1=C(C=C(C=C1)Cl)Cl)N1N=CN=C1)C1=CC=CC=C1