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2-Benzylsulfonyl-4-phenyl-1-[2-phenyl-2-hydroxy-3-(benzo[d][1,2,3]triazol-1-yl)propyl]imidazole
SpectraBase Compound ID 4UMJBzYv3kZ
InChI InChI=1S/C31H27N5O3S/c37-31(26-16-8-3-9-17-26,23-36-29-19-11-10-18-27(29)33-34-36)22-35-20-28(25-14-6-2-7-15-25)32-30(35)40(38,39)21-24-12-4-1-5-13-24/h1-20,37H,21-23H2
InChIKey HCXMYZSRGYOGLC-UHFFFAOYSA-N
Mol Weight 549.65 g/mol
Molecular Formula C31H27N5O3S
Exact Mass 549.183461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENzMbJBh7Dz
Name 2-Benzylsulfonyl-4-phenyl-1-[2-phenyl-2-hydroxy-3-(benzo[d][1,2,3]triazol-1-yl)propyl]imidazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H27N5O3S
InChI InChI=1S/C31H27N5O3S/c37-31(26-16-8-3-9-17-26,23-36-29-19-11-10-18-27(29)33-34-36)22-35-20-28(25-14-6-2-7-15-25)32-30(35)40(38,39)21-24-12-4-1-5-13-24/h1-20,37H,21-23H2
InChIKey HCXMYZSRGYOGLC-UHFFFAOYSA-N
Molecular Weight 549.649 g/mol
SMILES OC(C[n]1c(S(Cc2ccccc2)(=O)=O)nc(-c2ccccc2)c1)(C[n]1nnc2c1cccc2)c1ccccc1
SPLASH splash10-0udi-0900030000-43eda36a6219300b47d1
Source of Spectrum SO-0-1621-32
Synonyms 1-(1H-1,2,3-benzotriazol-1-yl)-3-[2-(benzylsulfonyl)-4-phenyl-1H-imidazol-1-yl]-2-phenyl-2-propanol
Wiley ID 877063