(S)-5-Benzyl-2-mesityl-6,6-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate

• CAS: 925706-40-7
• Catalog Number: ACM925706407-1
• Category: Other Products
• Molecular Weight: 449.29
• Molecular Formula: C23H28BF4N3O
• Synonyms: (5S)-5-Benzyl-6,6-dimethyl-2-(2,4,6-trimethylphenyl)-5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate
• IUPAC Name: (5S)-5-benzyl-6,6-dimethyl-2-(2,4,6-trimethylphenyl)-5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium;tetrafluoroborate
• Canonical SMILES: [B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2C=[N+]3C(C(OCC3=N2)(C)C)CC4=CC=CC=C4)C
• InChI: PVYSZYZMWZCJCT-BDQAORGHSA-N
• InChI Key: InChI=1S/C23H28N3O.BF4/c1-16-11-17(2)22(18(3)12-16)26-15-25-20(13-19-9-7-6-8-10-19)23(4,5)27-14-21(25)24-26;2-1(3,4)5/h6-12,15,20H,13-14H2,1-5H3;/q+1;-1/t20-;/m0./s1
• Melting Point: 200-206 °C
• Exact Mass: 449.22600
• H-Bond Acceptor: 7
• H-Bond Donor: 0
• Isomeric SMILES: [B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2C=[N+]3[C@H](C(OCC3=N2)(C)C)CC4=CC=CC=C4)C